Chemical ID: 4180586

c1cc(cc(c1)Cl)CCNCc2cccnc2
Chemical ID:
4180586
Name [?]:
2-(3-chlorophenyl)-N-(3-pyridylmethyl)ethanamine
SMILES [?]:
c1cc(cc(c1)Cl)CCNCc2cccnc2
InChi [?]:
InChI=1/C14H15ClN2/c15-14-5-1-3-12(9-14)6-8-17-11-13-4-2-7-16-10-13/h1-5,7,9-10,17H,6,8,11H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,6,8,15,9,4,17,11,3,12,5,7,16,10/rA:17nCCCCCCClCCNCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.63134
Area:464.148
Solvation:-1.97237
Coulombic:-15.5827
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.735
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.77
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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