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Chemical ID: 7285242
Chemical ID:
7285242
Name [?]:
2-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CCNCc2ccccc2N3CCCC3
InChi [?]:
InChI=1/C20H26N2O/c1-23-19-10-8-17(9-11-19)12-13-21-16-18-6-2-3-7-20(18)22-14-4-5-15-22/h2-3,6-11,21H,4-5,12-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,21,22,14,17,5,7,4,8,9,10,20,23,12,6,13,3,18,11,19,2/E:(4,5)(8,9)(10,11)(14,15)/rA:23nCOCCCCCCCCNCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O |
All Atoms: | 49 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2671 |
Area: | 547.192 |
Solvation: | -3.41265 |
Coulombic: | -23.9252 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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