Chemical ID: 6474508

CCc1ccc(cc1)CNCc2ccccc2Cl
Chemical ID:
6474508
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-methanamine
SMILES [?]:
CCc1ccc(cc1)CNCc2ccccc2Cl
InChi [?]:
InChI=1/C16H18ClN/c1-2-13-7-9-14(10-8-13)11-18-12-15-5-3-4-6-16(15)17/h3-10,18H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,4,8,5,7,9,11,3,6,12,17,18,10/E:(7,8)(9,10)/rA:18nCCCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClN
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3293
Area:472.461
Solvation:-1.48219
Coulombic:-12.6047
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.774
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.77
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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