(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine

C20H23N — CID 146631347

IUPAC(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine
SMILESC/C=C(C(=C/Cc1ccccc1C)\NC)/c1ccccc1
InChIInChI=1S/C20H23N/c1-4-19(18-12-6-5-7-13-18)20(21-3)15-14-17-11-9-8-10-16(17)2/h4-13,15,21H,14H2,1-3H3/b19-4-,20-15+
InChIKeySXVGDJGWLOOTCQ-QBQZRFGLSA-N
MW277.41 g/mol
LogP4.74
Rot. Bonds5

About (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine

(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine (PubChem CID 146631347) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine
PubChem CID146631347
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine
SMILESC/C=C(C(=C/Cc1ccccc1C)\NC)/c1ccccc1
InChIInChI=1S/C20H23N/c1-4-19(18-12-6-5-7-13-18)20(21-3)15-14-17-11-9-8-10-16(17)2/h4-13,15,21H,14H2,1-3H3/b19-4-,20-15+
InChIKeySXVGDJGWLOOTCQ-QBQZRFGLSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine (CID 146631347) is (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine is C/C=C(C(=C/Cc1ccccc1C)\NC)/c1ccccc1.
What is the InChIKey of (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine?
The InChIKey is SXVGDJGWLOOTCQ-QBQZRFGLSA-N. The full InChI is InChI=1S/C20H23N/c1-4-19(18-12-6-5-7-13-18)20(21-3)15-14-17-11-9-8-10-16(17)2/h4-13,15,21H,14H2,1-3H3/b19-4-,20-15+.
What are the key properties of (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine?
(2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine has a molecular weight of 277.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-1-(2-methylphenyl)-4-phenylhexa-2,4-dien-3-amine is sourced from PubChem (CID 146631347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).