3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline

C18H20N2O — CID 142835702

IUPAC3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccc(C)cc1)c1c(N)ccc(C)c1OC
InChIInChI=1S/C18H20N2O/c1-12-4-7-14(8-5-12)9-11-16(20)17-15(19)10-6-13(2)18(17)21-3/h4-11,20H,19H2,1-3H3/b11-9+,20-16+
InChIKeyBIIOTNCYDATIAR-IQJDPZODSA-N
MW280.37 g/mol
LogP3.98
Rot. Bonds4

About 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline

3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline (PubChem CID 142835702) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline
PubChem CID142835702
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccc(C)cc1)c1c(N)ccc(C)c1OC
InChIInChI=1S/C18H20N2O/c1-12-4-7-14(8-5-12)9-11-16(20)17-15(19)10-6-13(2)18(17)21-3/h4-11,20H,19H2,1-3H3/b11-9+,20-16+
InChIKeyBIIOTNCYDATIAR-IQJDPZODSA-N
XLogP3.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enimidoyl]-2-methoxybenzoic acid
CID 142836212
2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline
CID 166130603
4-amino-N-[3-(dimethylamino)propyl]-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-2-methoxybenzamide
CID 142836518
3-[(E)-3-(3-acetyl-4-fluorophenyl)prop-2-enimidoyl]-4-amino-2-methoxy-N-methylbenzamide;molecular hydrogen
CID 142835848
4-amino-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 162546897
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-2-methoxybenzamide
CID 142836339
4-amino-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-2-methoxybenzamide
CID 142836025
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate
CID 13378718
2-[(E)-3-(3,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline
CID 142836389
3-N-[1-[4-amino-2-butyl-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]phenyl]ethenyl]but-1-ene-2,3-diamine
CID 142836344
6-amino-2-methoxy-3-methylbenzenethiol
CID 20566093

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline?
The IUPAC name of 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline (CID 142835702) is 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline.
What is the SMILES notation for 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline?
The canonical SMILES for 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1ccc(C)cc1)c1c(N)ccc(C)c1OC.
What is the InChIKey of 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline?
The InChIKey is BIIOTNCYDATIAR-IQJDPZODSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-4-7-14(8-5-12)9-11-16(20)17-15(19)10-6-13(2)18(17)21-3/h4-11,20H,19H2,1-3H3/b11-9+,20-16+.
What are the key properties of 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline?
3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline has a molecular weight of 280.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-2-[(E)-3-(4-methylphenyl)prop-2-enimidoyl]aniline is sourced from PubChem (CID 142835702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).