Chemical ID: 7105400

c1ccc(c(c1)CNC2CCCCCC2)Cl
Chemical ID:
7105400
Name [?]:
N-[(2-chlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C14H20ClN/c15-14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,1,2,6,10,15,3,7,5,9,4,16,8/E:(1,2)(3,4)(8,9)/rA:16nCCCCCCCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s9s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClN
All Atoms:36
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.5772
Area:417.604
Solvation:-0.862898
Coulombic:-12.2754
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.768
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.55
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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