(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine

C21H23NO — CID 176716504

IUPAC(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)C(NC)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23NO/c1-5-10-17(6-2)21(22-3,18-11-8-7-9-12-18)19-13-15-20(23-4)16-14-19/h5-16,22H,1-2H2,3-4H3/b17-10+
InChIKeyRPJRLSPQPVSRLD-LICLKQGHSA-N
MW305.42 g/mol
LogP4.46
Rot. Bonds7

About (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine

(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine (PubChem CID 176716504) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine
PubChem CID176716504
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)C(NC)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23NO/c1-5-10-17(6-2)21(22-3,18-11-8-7-9-12-18)19-13-15-20(23-4)16-14-19/h5-16,22H,1-2H2,3-4H3/b17-10+
InChIKeyRPJRLSPQPVSRLD-LICLKQGHSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
CID 144938327
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
CID 126516005
1-(methylamino)-1,1-diphenylpent-4-ene-2-thione
CID 145460952
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
4-[(2R,3E)-3-[(Z)-2-aminoethenyl]-2-(4-methoxyphenyl)hexa-3,5-dien-2-yl]phenol
CID 89221167
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine (CID 176716504) is (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)C(NC)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine?
The InChIKey is RPJRLSPQPVSRLD-LICLKQGHSA-N. The full InChI is InChI=1S/C21H23NO/c1-5-10-17(6-2)21(22-3,18-11-8-7-9-12-18)19-13-15-20(23-4)16-14-19/h5-16,22H,1-2H2,3-4H3/b17-10+.
What are the key properties of (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine?
(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 176716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).