4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline

C20H23N — CID 145025138

IUPAC4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline
SMILESC/C=C(\C=C/C(C)c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C20H23N/c1-4-19(21-20-13-10-16(2)11-14-20)15-12-17(3)18-8-6-5-7-9-18/h4-15,17,21H,1-3H3/b15-12-,19-4+
InChIKeyPTIVCQKDNYMCKR-UCDHIWJNSA-N
MW277.41 g/mol
LogP5.67
Rot. Bonds5

About 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline

4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline (PubChem CID 145025138) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline
PubChem CID145025138
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline
SMILESC/C=C(\C=C/C(C)c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C20H23N/c1-4-19(21-20-13-10-16(2)11-14-20)15-12-17(3)18-8-6-5-7-9-18/h4-15,17,21H,1-3H3/b15-12-,19-4+
InChIKeyPTIVCQKDNYMCKR-UCDHIWJNSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.67
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

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CID 12697650
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
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1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
N-[4-[(3Z,5E)-5-anilinoocta-3,5,7-trien-2-yl]phenyl]-4-(4-methylphenoxy)-N-phenylcyclohepta-1,3,5-trien-1-amine
CID 154692062
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 14230954
(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
1-bromo-5-phenylhex-3-en-2-one
CID 164769432
(E)-3-phenylbut-1-en-1-amine
CID 22024726
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline?
The IUPAC name of 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline (CID 145025138) is 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline.
What is the SMILES notation for 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline?
The canonical SMILES for 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline is C/C=C(\C=C/C(C)c1ccccc1)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline?
The InChIKey is PTIVCQKDNYMCKR-UCDHIWJNSA-N. The full InChI is InChI=1S/C20H23N/c1-4-19(21-20-13-10-16(2)11-14-20)15-12-17(3)18-8-6-5-7-9-18/h4-15,17,21H,1-3H3/b15-12-,19-4+.
What are the key properties of 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline?
4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline has a molecular weight of 277.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2E,4Z)-6-phenylhepta-2,4-dien-3-yl]aniline is sourced from PubChem (CID 145025138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).