2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline

C20H24N2 — CID 167054767

IUPAC2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
SMILES[H]/N=C(\CCC(=C)C)c1ccc(-c2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C20H24N2/c1-13(2)5-10-19(21)17-8-9-18(15(4)11-17)16-7-6-14(3)20(22)12-16/h6-9,11-12,21H,1,5,10,22H2,2-4H3/b21-19+
InChIKeyZJEYRPSTFJQPTR-XUTLUUPISA-N
MW292.43 g/mol
LogP5.28
Rot. Bonds5

About 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline

2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline (PubChem CID 167054767) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
PubChem CID167054767
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
SMILES[H]/N=C(\CCC(=C)C)c1ccc(-c2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C20H24N2/c1-13(2)5-10-19(21)17-8-9-18(15(4)11-17)16-7-6-14(3)20(22)12-16/h6-9,11-12,21H,1,5,10,22H2,2-4H3/b21-19+
InChIKeyZJEYRPSTFJQPTR-XUTLUUPISA-N
XLogP5.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]benzene-1,2-diol
CID 167054831
1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine
CID 167054795
4-methyl-1-[3-methyl-4-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]pent-4-en-1-imine
CID 167054725
4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide
CID 167054887
4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide
CID 167054913
4-butanimidoyl-2-fluoroaniline
CID 174484093
5-(2-aminophenyl)-2-methylaniline
CID 68793709
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
5-(4-ethylphenyl)-2-methylaniline
CID 61025757
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
CID 141321542
1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine
CID 145017288
5-(4-aminophenyl)-2-methylaniline
CID 68788638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline?
The IUPAC name of 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline (CID 167054767) is 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline.
What is the SMILES notation for 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline?
The canonical SMILES for 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline is [H]/N=C(\CCC(=C)C)c1ccc(-c2ccc(C)c(N)c2)c(C)c1.
What is the InChIKey of 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline?
The InChIKey is ZJEYRPSTFJQPTR-XUTLUUPISA-N. The full InChI is InChI=1S/C20H24N2/c1-13(2)5-10-19(21)17-8-9-18(15(4)11-17)16-7-6-14(3)20(22)12-16/h6-9,11-12,21H,1,5,10,22H2,2-4H3/b21-19+.
What are the key properties of 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline?
2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline has a molecular weight of 292.43 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline is sourced from PubChem (CID 167054767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).