2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine

C12H16N2O — CID 149337281

IUPAC2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H16N2O/c1-9-6-10(4-5-12(9)15-3)11(7-13)8-14-2/h4-8H,13H2,1-3H3/b11-7?,14-8+
InChIKeyCWAQFKBRDITIPZ-GXLJOMOHSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine

2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine (PubChem CID 149337281) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
PubChem CID149337281
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H16N2O/c1-9-6-10(4-5-12(9)15-3)11(7-13)8-14-2/h4-8H,13H2,1-3H3/b11-7?,14-8+
InChIKeyCWAQFKBRDITIPZ-GXLJOMOHSA-N
XLogP2.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine (CID 149337281) is 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine?
The InChIKey is CWAQFKBRDITIPZ-GXLJOMOHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-6-10(4-5-12(9)15-3)11(7-13)8-14-2/h4-8H,13H2,1-3H3/b11-7?,14-8+.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine?
2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 149337281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).