2-(N-methylanilino)-4-phenylbut-3-enenitrile

C17H16N2 — CID 71339766

IUPAC2-(N-methylanilino)-4-phenylbut-3-enenitrile
SMILESCN(c1ccccc1)C(C#N)C=Cc1ccccc1
InChIInChI=1S/C17H16N2/c1-19(16-10-6-3-7-11-16)17(14-18)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3
InChIKeyDAMUHIBTIJJBKE-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.73
Rot. Bonds4

About 2-(N-methylanilino)-4-phenylbut-3-enenitrile

2-(N-methylanilino)-4-phenylbut-3-enenitrile (PubChem CID 71339766) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(N-methylanilino)-4-phenylbut-3-enenitrile.

Molecular Properties

Compound Name2-(N-methylanilino)-4-phenylbut-3-enenitrile
PubChem CID71339766
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(N-methylanilino)-4-phenylbut-3-enenitrile
SMILESCN(c1ccccc1)C(C#N)C=Cc1ccccc1
InChIInChI=1S/C17H16N2/c1-19(16-10-6-3-7-11-16)17(14-18)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3
InChIKeyDAMUHIBTIJJBKE-UHFFFAOYSA-N
XLogP3.73
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
2-[(E)-2-phenylethenyl]pentanenitrile
CID 102025901
N,N-dimethylmethanamine;stilbene
CID 174368184
2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
CID 151230311
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-4-phenylbut-3-enenitrile?
The IUPAC name of 2-(N-methylanilino)-4-phenylbut-3-enenitrile (CID 71339766) is 2-(N-methylanilino)-4-phenylbut-3-enenitrile.
What is the SMILES notation for 2-(N-methylanilino)-4-phenylbut-3-enenitrile?
The canonical SMILES for 2-(N-methylanilino)-4-phenylbut-3-enenitrile is CN(c1ccccc1)C(C#N)C=Cc1ccccc1.
What is the InChIKey of 2-(N-methylanilino)-4-phenylbut-3-enenitrile?
The InChIKey is DAMUHIBTIJJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-19(16-10-6-3-7-11-16)17(14-18)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3.
What are the key properties of 2-(N-methylanilino)-4-phenylbut-3-enenitrile?
2-(N-methylanilino)-4-phenylbut-3-enenitrile has a molecular weight of 248.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-4-phenylbut-3-enenitrile is sourced from PubChem (CID 71339766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).