2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline

C18H24N2O — CID 103463971

IUPAC2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-20(2)13-16-11-7-8-12-17(16)19-18(14-21-3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3
InChIKeyOHVCCWHDDFTCPR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline

2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463971) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463971
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccccc1CN(C)C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-20(2)13-16-11-7-8-12-17(16)19-18(14-21-3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3
InChIKeyOHVCCWHDDFTCPR-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586
2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
N-(2-methoxy-1-phenylethyl)quinolin-5-amine
CID 103463342
2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline (CID 103463971) is 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1ccccc1CN(C)C)c1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is OHVCCWHDDFTCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(2)13-16-11-7-8-12-17(16)19-18(14-21-3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline?
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 284.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).