Chemical ID: 7102840

CCCCCCNCc1ccc(c(c1)OC)OCC
Chemical ID:
7102840
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C16H27NO2/c1-4-6-7-8-11-17-13-14-9-10-15(19-5-2)16(12-14)18-3/h9-10,12,17H,4-8,11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,16,2,18,3,4,5,10,11,6,14,8,9,12,13,7,15,17/rA:19nCCCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:46
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.74494
Area:524.485
Solvation:-4.36719
Coulombic:-24.82
Bond Count [?]
All:19
Single:16
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:265.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.41

Name Annotations

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Descriptor Annotations

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