Chemical ID: 7108076

c1cc(cc(c1)Br)CNC2CCCCCC2
Chemical ID:
7108076
Name [?]:
N-[(3-bromophenyl)methyl]cycloheptanamine
SMILES [?]:
c1cc(cc(c1)Br)CNC2CCCCCC2
InChi [?]:
InChI=1/C14H20BrN/c15-13-7-5-6-12(10-13)11-16-14-8-3-1-2-4-9-14/h5-7,10,14,16H,1-4,8-9,11H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,2,6,11,16,4,8,3,5,10,7,9/E:(1,2)(3,4)(8,9)/rA:16nCCCCCCBrCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s14;s10s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrN
All Atoms:36
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.83081
Area:429.533
Solvation:-0.907509
Coulombic:-11.7243
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.219
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.73
LogP (Chemaxon):4.35

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Descriptor Annotations

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