Chemical ID: 4121876

CC(c1ccco1)NC(CC(=C)C)c2ccccc2
Chemical ID:
4121876
Name [?]:
N-[1-(2-furyl)ethyl]-3-methyl-1-phenyl-but-3-en-1-amine
SMILES [?]:
CC(c1ccco1)NC(CC(=C)C)c2ccccc2
InChi [?]:
InChI=1/C17H21NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,14,16,18H,1,12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,17,16,18,5,15,19,4,6,10,11,2,14,9,3,8,7/E:(5,6)(8,9)/rA:19cCCCCCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;d11;s11;s9;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.10428
Area:468.827
Solvation:-2.61639
Coulombic:-18.7794
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.355
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.62
LogP (Chemaxon):3.93

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Descriptor Annotations

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