Chemical ID: 7285242

COc1ccc(cc1)CCNCc2ccccc2N3CCCC3
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

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Experimental Annotations

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Descriptor Annotations

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