Chemical ID: 3639253

c1cc2c(cccn2)c(c1)NCc3ccc(cc3)Cl
Chemical ID:
3639253
Name [?]:
N-[(4-chlorophenyl)methyl]quinolin-5-amine
SMILES [?]:
c1cc2c(cccn2)c(c1)NCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2/c17-13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19H,11H2
InChi Info:
AuxInfo=1/0/N:1,6,5,2,10,14,18,15,17,7,12,13,16,4,3,9,19,8,11/E:(6,7)(8,9)/rA:19nCCCCCCCNCCNCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s3d7;d4;d1s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.82768
Area:465.543
Solvation:-1.8109
Coulombic:-19.61
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.741
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.1
LogP (Chemaxon):4.0

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Descriptor Annotations

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