Chemical ID: 4177718

CCC1CCC(CC1)NCc2cccc(c2OC)OC
Chemical ID:
4177718
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-4-ethyl-cyclohexan-1-amine
SMILES [?]:
CCC1CCC(CC1)NCc2cccc(c2OC)OC
InChi [?]:
InChI=1/C17H27NO2/c1-4-13-8-10-15(11-9-13)18-12-14-6-5-7-16(19-2)17(14)20-3/h5-7,13,15,18H,4,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,13,12,14,4,8,5,7,10,3,11,6,15,16,9,19,17/E:(8,9)(10,11)/rA:20nCCCCCCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.5
Area:483.652
Solvation:-3.59129
Coulombic:-25.6764
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):3.38

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