N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline

C19H19N — CID 143914074

IUPACN-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
SMILESCC(/C=C\c1ccccc1)=C/C=C/Nc1ccccc1
InChIInChI=1S/C19H19N/c1-17(14-15-18-10-4-2-5-11-18)9-8-16-20-19-12-6-3-7-13-19/h2-16,20H,1H3/b15-14-,16-8+,17-9-
InChIKeyDRXFAVWCPSPYCH-ZWCOEUIWSA-N
MW261.37 g/mol
LogP5.27
Rot. Bonds5

About N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline

N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline (PubChem CID 143914074) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline.

Molecular Properties

Compound NameN-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
PubChem CID143914074
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
SMILESCC(/C=C\c1ccccc1)=C/C=C/Nc1ccccc1
InChIInChI=1S/C19H19N/c1-17(14-15-18-10-4-2-5-11-18)9-8-16-20-19-12-6-3-7-13-19/h2-16,20H,1H3/b15-14-,16-8+,17-9-
InChIKeyDRXFAVWCPSPYCH-ZWCOEUIWSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline with MolForge

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Related Compounds

(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium
CID 58771556
4-methylpenta-1,3-dienylbenzene
CID 3614395
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
CID 123995798
dimethyl 2-(3-anilinoprop-2-enylidene)propanedioate
CID 72578596
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline?
The IUPAC name of N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline (CID 143914074) is N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline.
What is the SMILES notation for N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline?
The canonical SMILES for N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline is CC(/C=C\c1ccccc1)=C/C=C/Nc1ccccc1.
What is the InChIKey of N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline?
The InChIKey is DRXFAVWCPSPYCH-ZWCOEUIWSA-N. The full InChI is InChI=1S/C19H19N/c1-17(14-15-18-10-4-2-5-11-18)9-8-16-20-19-12-6-3-7-13-19/h2-16,20H,1H3/b15-14-,16-8+,17-9-.
What are the key properties of N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline?
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline has a molecular weight of 261.37 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline is sourced from PubChem (CID 143914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).