Chemical ID: 7104897

CCCCCNCc1cccc(c1)Cl
Chemical ID:
7104897
Name [?]:
N-[(3-chlorophenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H18ClN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,10,9,11,5,13,7,8,12,14,6/rA:14nCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClN
All Atoms:32
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:9.83238
Area:432.206
Solvation:-0.972763
Coulombic:-11.9392
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.731
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.08
LogP (Chemaxon):3.69

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Descriptor Annotations

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