Chemical ID: 7085969

Cc1cccc(c1C)NCc2cccc(c2)Cl
Chemical ID:
7085969
Name [?]:
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-aniline
SMILES [?]:
Cc1cccc(c1C)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H16ClN/c1-11-5-3-8-15(12(11)2)17-10-13-6-4-7-14(16)9-13/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,13,3,12,14,5,16,10,2,7,11,15,6,17,9/rA:17nCCCCCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClN
All Atoms:33
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.0071
Area:447.342
Solvation:-1.17645
Coulombic:-14.7939
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.747
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.66
LogP (Chemaxon):4.85

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Descriptor Annotations

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