Chemical ID: 4687194

c1ccc(cc1)C(c2ccco2)Nc3ccccc3
Chemical ID:
4687194
Name [?]:
N-(2-furyl-phenyl-methyl)aniline
SMILES [?]:
c1ccc(cc1)C(c2ccco2)Nc3ccccc3
InChi [?]:
InChI=1/C17H15NO/c1-3-8-14(9-4-1)17(16-12-7-13-19-16)18-15-10-5-2-6-11-15/h1-13,17-18H
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,18,10,3,5,15,19,9,11,4,14,8,7,13,12/E:(3,4)(5,6)(8,9)(10,11)/rA:19cCCCCCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s7;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.34281
Area:446.934
Solvation:-2.83052
Coulombic:-21.5905
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.307
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.65
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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