1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine

C18H19N — CID 142065127

IUPAC1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(CCC(=C)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-14(17-6-4-3-5-7-17)8-9-16-10-12-18(13-11-16)15(2)19/h3-7,10-13H,1-2,8-9,19H2
InChIKeyABCZVJYWOGNRRE-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.26
Rot. Bonds5

About 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine

1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine (PubChem CID 142065127) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine
PubChem CID142065127
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(CCC(=C)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-14(17-6-4-3-5-7-17)8-9-16-10-12-18(13-11-16)15(2)19/h3-7,10-13H,1-2,8-9,19H2
InChIKeyABCZVJYWOGNRRE-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-[4-(4-phenylbut-1-en-2-yl)phenyl]borane
CID 161217029
3-phenylbut-3-enylbenzene;(2-phenylcyclobutyl)benzene
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1-(bromomethyl)-4-(6-phenylhept-6-enyl)benzene
CID 68649273
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
[4-(1-aminoethenyl)phenyl]methanol
CID 89070101
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
2-amino-2-[2-[4-(8-phenyloct-1-en-2-yl)phenyl]ethyl]propane-1,3-diol
CID 89278572
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710
3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
CID 143057310
4-(2-phenylethyl)benzamide
CID 23130460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine?
The IUPAC name of 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine (CID 142065127) is 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine.
What is the SMILES notation for 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine?
The canonical SMILES for 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine is C=C(N)c1ccc(CCC(=C)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine?
The InChIKey is ABCZVJYWOGNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-14(17-6-4-3-5-7-17)8-9-16-10-12-18(13-11-16)15(2)19/h3-7,10-13H,1-2,8-9,19H2.
What are the key properties of 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine?
1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine has a molecular weight of 249.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylbut-3-enyl)phenyl]ethenamine is sourced from PubChem (CID 142065127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).