Chemical ID: 4504721

CCN1CCCC1CNCc2ccccc2OCC
Chemical ID:
4504721
Name [?]:
N-[(2-ethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccccc2OCC
InChi [?]:
InChI=1/C16H26N2O/c1-3-18-11-7-9-15(18)13-17-12-14-8-5-6-10-16(14)19-4-2/h5-6,8,10,15,17H,3-4,7,9,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,13,14,5,12,6,15,4,10,8,11,7,16,9,3,17/rA:19cCCNCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.1025
Area:485.926
Solvation:-3.04565
Coulombic:-21.9634
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.38

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Descriptor Annotations

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