Chemical ID: 4525415

Cc1ccc(o1)C(CC=C)Nc2ccccc2
Chemical ID:
4525415
Name [?]:
N-[1-(5-methyl-2-furyl)but-3-enyl]aniline
SMILES [?]:
Cc1ccc(o1)C(CC=C)Nc2ccccc2
InChi [?]:
InChI=1/C15H17NO/c1-3-7-14(15-11-10-12(2)17-15)16-13-8-5-4-6-9-13/h3-6,8-11,14,16H,1,7H2,2H3
InChi Info:
AuxInfo=1/0/N:10,1,9,15,14,16,8,13,17,3,4,2,12,7,5,11,6/E:(5,6)(8,9)/rA:17cCCCCCOCCCCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s7;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.33064
Area:436.668
Solvation:-2.58605
Coulombic:-21.0778
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.302
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.4
LogP (Chemaxon):3.42

Name Annotations

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Descriptor Annotations

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