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Chemical ID: 7972506
Chemical ID:
7972506
Name [?]:
2-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-yl-ethanamine
SMILES [?]:
COc1ccc(c(c1)[C@H](CN)N2CCCC2)OC
InChi [?]:
InChI=1/C14H22N2O2/c1-17-11-5-6-14(18-2)12(9-11)13(10-15)16-7-3-4-8-16/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3/t13-/m0/s1
InChi Info:
AuxInfo=1/0/N:1,18,14,15,4,5,13,16,8,10,3,7,9,6,11,12,2,17/E:(3,4)(7,8)/it:im/rA:18cCOCCCCCCCCNNCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s9;s12;s13;s14;s12s15;s6;s17;/rC:1.6482,1.341,-.8196;1.3054,-.0359,-.6503;1.755,-.4046,.579;2.4001,.5197,1.3875;2.8571,.1452,2.6358;2.6706,-1.1552,3.0813;2.0252,-2.0791,2.2732;1.5634,-1.7031,1.0266;1.8225,-3.4918,2.7572;3.1161,-4.2865,2.5674;3.4047,-4.4167,1.1329;.7425,-4.1231,1.9871;-.4814,-3.3356,2.2475;-1.6034,-4.3909,2.4117;-.8571,-5.5282,3.1576;.5584,-5.4752,2.5454;3.1209,-1.5241,4.3102;3.7317,-.3696,4.89;
Chemical Details
Atom Count
Formula: | C14H22N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.79626 |
Area: | 431.816 |
Solvation: | -3.99914 |
Coulombic: | -31.402 |
Bond Count [?]
All: | 41 |
Single: | 38 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 250.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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