Chemical ID: 7972506

COc1ccc(c(c1)[C@H](CN)N2CCCC2)OC
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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