5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline

C18H24N2O — CID 43686508

IUPAC5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
SMILESCOc1ccc(CN(C)C)cc1NCc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-7-5-6-8-16(14)12-19-17-11-15(13-20(2)3)9-10-18(17)21-4/h5-11,19H,12-13H2,1-4H3
InChIKeyXSNLJDOMLIGJBE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.68
Rot. Bonds6

About 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline

5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline (PubChem CID 43686508) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
PubChem CID43686508
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
SMILESCOc1ccc(CN(C)C)cc1NCc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-7-5-6-8-16(14)12-19-17-11-15(13-20(2)3)9-10-18(17)21-4/h5-11,19H,12-13H2,1-4H3
InChIKeyXSNLJDOMLIGJBE-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_D(2)', 'substructure': 'N/A'}

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Related Compounds

5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline (CID 43686508) is 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline is COc1ccc(CN(C)C)cc1NCc1ccccc1C.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is XSNLJDOMLIGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-7-5-6-8-16(14)12-19-17-11-15(13-20(2)3)9-10-18(17)21-4/h5-11,19H,12-13H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 43686508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).