Chemical ID: 4122298

c1ccc(cc1)NCc2cccnc2
Chemical ID:
4122298
Name [?]:
N-(3-pyridylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCc2cccnc2
InChi [?]:
InChI=1/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,14,8,9,4,13,7/E:(2,3)(6,7)/rA:14nCCCCCCNCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.49366
Area:372.638
Solvation:-1.82228
Coulombic:-17.8301
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.237
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.13
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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