(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine

C18H19N — CID 144640465

IUPAC(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine
SMILESC=C/C(C)=C\C(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N/c1-3-14(2)12-18(19)17-11-7-10-16(13-17)15-8-5-4-6-9-15/h3-13,18H,1,19H2,2H3/b14-12-
InChIKeyLCPVJXJRVPOKFH-OWBHPGMISA-N
MW249.36 g/mol
LogP4.49
Rot. Bonds4

About (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine

(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine (PubChem CID 144640465) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine
PubChem CID144640465
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine
SMILESC=C/C(C)=C\C(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N/c1-3-14(2)12-18(19)17-11-7-10-16(13-17)15-8-5-4-6-9-15/h3-13,18H,1,19H2,2H3/b14-12-
InChIKeyLCPVJXJRVPOKFH-OWBHPGMISA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.49
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

(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine
CID 126700302
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
3-oxo-2-(3-phenylphenyl)butanoic acid
CID 139972260
N-[1-(3-phenylphenyl)ethyl]methanimine
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(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
CID 171271118
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine (CID 144640465) is (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine is C=C/C(C)=C\C(N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine?
The InChIKey is LCPVJXJRVPOKFH-OWBHPGMISA-N. The full InChI is InChI=1S/C18H19N/c1-3-14(2)12-18(19)17-11-7-10-16(13-17)15-8-5-4-6-9-15/h3-13,18H,1,19H2,2H3/b14-12-.
What are the key properties of (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine?
(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine has a molecular weight of 249.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 144640465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).