Chemical ID: 7108984

COc1ccc(cc1CNC2CCCCCC2)Cl
Chemical ID:
7108984
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]cycloheptanamine
SMILES [?]:
COc1ccc(cc1CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C15H22ClNO/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,12,17,5,4,7,9,8,6,11,3,18,10,2/E:(2,3)(4,5)(6,7)/rA:18nCOCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s11s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClNO
All Atoms:40
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.49315
Area:463.026
Solvation:-2.08251
Coulombic:-18.409
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.794
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):3.82

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