Chemical ID: 7102839

CCCCCCNCc1cccc(c1)OCC
Chemical ID:
7102839
Name [?]:
N-[(3-ethoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1cccc(c1)OCC
InChi [?]:
InChI=1/C15H25NO/c1-3-5-6-7-11-16-13-14-9-8-10-15(12-14)17-4-2/h8-10,12,16H,3-7,11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,4,5,11,10,12,6,14,8,9,13,7,15/rA:17nCCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO
All Atoms:42
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.91033
Area:488.778
Solvation:-2.3091
Coulombic:-18.5578
Bond Count [?]
All:17
Single:14
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):3.66

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