Chemical ID: 7102845

CCCCCCNCc1ccc(c(c1)OCC)OCC
Chemical ID:
7102845
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(c(c1)OCC)OCC
InChi [?]:
InChI=1/C17H29NO2/c1-4-7-8-9-12-18-14-15-10-11-16(19-5-2)17(13-15)20-6-3/h10-11,13,18H,4-9,12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,17,2,19,16,3,4,5,10,11,6,14,8,9,12,13,7,18,15/rA:20nCCCCCCNCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO2
All Atoms:49
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.4961
Area:550.627
Solvation:-4.26956
Coulombic:-25.0775
Bond Count [?]
All:20
Single:17
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:279.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):3.75

Name Annotations

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Descriptor Annotations

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