Chemical ID: 4181282

COc1ccc(c(c1)CNC2CCCCCC2)OC
Chemical ID:
4181282
Name [?]:
N-[(2,5-dimethoxyphenyl)methyl]cycloheptanamine
SMILES [?]:
COc1ccc(c(c1)CNC2CCCCCC2)OC
InChi [?]:
InChI=1/C16H25NO2/c1-18-15-9-10-16(19-2)13(11-15)12-17-14-7-5-3-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,14,15,13,16,12,17,4,5,8,9,7,11,3,6,10,2,18/E:(3,4)(5,6)(7,8)/rA:19nCOCCCCCCCNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s11s16;s6;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.12418
Area:465.005
Solvation:-3.50095
Coulombic:-24.423
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.375
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):3.05

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Descriptor Annotations

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