4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline

C19H23N — CID 158968166

IUPAC4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline
SMILESCC(=CC(C)(C)c1ccc(N)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23N/c1-14-5-7-16(8-6-14)15(2)13-19(3,4)17-9-11-18(20)12-10-17/h5-13H,20H2,1-4H3
InChIKeyMZSHEIDWPUWLRL-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.96
Rot. Bonds3

About 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline

4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline (PubChem CID 158968166) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline.

Molecular Properties

Compound Name4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline
PubChem CID158968166
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline
SMILESCC(=CC(C)(C)c1ccc(N)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23N/c1-14-5-7-16(8-6-14)15(2)13-19(3,4)17-9-11-18(20)12-10-17/h5-13H,20H2,1-4H3
InChIKeyMZSHEIDWPUWLRL-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
CID 23652184
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
CID 173375065
CID 173375065
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
benzoic acid;4-methylaniline
CID 86190446
ethane;4-(4-methylphenyl)aniline
CID 142892908
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline?
The IUPAC name of 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline (CID 158968166) is 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline.
What is the SMILES notation for 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline?
The canonical SMILES for 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline is CC(=CC(C)(C)c1ccc(N)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline?
The InChIKey is MZSHEIDWPUWLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-5-7-16(8-6-14)15(2)13-19(3,4)17-9-11-18(20)12-10-17/h5-13H,20H2,1-4H3.
What are the key properties of 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline?
4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline has a molecular weight of 265.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]aniline is sourced from PubChem (CID 158968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).