3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline

C18H19N — CID 142037585

IUPAC3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline
SMILESC/C=C(/C=C/c1ccccc1)c1ccc(N)cc1C
InChIInChI=1S/C18H19N/c1-3-16(10-9-15-7-5-4-6-8-15)18-12-11-17(19)13-14(18)2/h3-13H,19H2,1-2H3/b10-9+,16-3-
InChIKeyOWRAFIZLZJYZIL-HJKYPQNTSA-N
MW249.36 g/mol
LogP4.69
Rot. Bonds3

About 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline

3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline (PubChem CID 142037585) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline
PubChem CID142037585
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline
SMILESC/C=C(/C=C/c1ccccc1)c1ccc(N)cc1C
InChIInChI=1S/C18H19N/c1-3-16(10-9-15-7-5-4-6-8-15)18-12-11-17(19)13-14(18)2/h3-13H,19H2,1-2H3/b10-9+,16-3-
InChIKeyOWRAFIZLZJYZIL-HJKYPQNTSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(E)-1-(4-amino-2-methylphenyl)-3-(4-hydroxy-3-methylphenyl)prop-2-en-1-one
CID 68599201
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 116605809
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
1-(4,5-dichloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 54190912
4-(2-phenylethenyl)aniline
CID 13265
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
carbamoyl 4-amino-2-methylbenzoate
CID 88539769
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
2-[(E)-3-phenylprop-2-enoyl]oxyethyl 2-methyl-4-[3-methyl-4-[2-[(E)-3-phenylprop-2-enoyl]oxyethoxycarbonyl]phenyl]sulfonylbenzoate
CID 67960859

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline?
The IUPAC name of 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline (CID 142037585) is 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline.
What is the SMILES notation for 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline?
The canonical SMILES for 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline is C/C=C(/C=C/c1ccccc1)c1ccc(N)cc1C.
What is the InChIKey of 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline?
The InChIKey is OWRAFIZLZJYZIL-HJKYPQNTSA-N. The full InChI is InChI=1S/C18H19N/c1-3-16(10-9-15-7-5-4-6-8-15)18-12-11-17(19)13-14(18)2/h3-13H,19H2,1-2H3/b10-9+,16-3-.
What are the key properties of 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline?
3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline has a molecular weight of 249.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline is sourced from PubChem (CID 142037585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).