(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine

C18H19N — CID 170636075

IUPAC(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine
SMILESC=C(C)/C(N)=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H19N/c1-13(2)18(19)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-12H,1,19H2,2-3H3/b18-17-
InChIKeyJNPOOXCOACFTPJ-ZCXUNETKSA-N
MW249.36 g/mol
LogP4.29
Rot. Bonds3

About (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine

(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine (PubChem CID 170636075) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine
PubChem CID170636075
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine
SMILESC=C(C)/C(N)=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H19N/c1-13(2)18(19)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-12H,1,19H2,2-3H3/b18-17-
InChIKeyJNPOOXCOACFTPJ-ZCXUNETKSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
bis(2-methylprop-1-ene);toluene
CID 158339604
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine?
The IUPAC name of (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine (CID 170636075) is (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine.
What is the SMILES notation for (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine?
The canonical SMILES for (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine is C=C(C)/C(N)=C(\c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine?
The InChIKey is JNPOOXCOACFTPJ-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H19N/c1-13(2)18(19)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16/h4-12H,1,19H2,2-3H3/b18-17-.
What are the key properties of (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine?
(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine has a molecular weight of 249.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine is sourced from PubChem (CID 170636075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).