1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol

C12H20N2O — CID 117108211

IUPAC1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)cc1N(C)C
InChIInChI=1S/C12H20N2O/c1-9-5-6-10(12(15)8-13-2)11(7-9)14(3)4/h5-7,12-13,15H,8H2,1-4H3
InChIKeySYELSAJBJATKDX-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds4

About 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol

1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol (PubChem CID 117108211) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
PubChem CID117108211
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)cc1N(C)C
InChIInChI=1S/C12H20N2O/c1-9-5-6-10(12(15)8-13-2)11(7-9)14(3)4/h5-7,12-13,15H,8H2,1-4H3
InChIKeySYELSAJBJATKDX-UHFFFAOYSA-N
XLogP1.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
CID 71246988
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188789
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187668
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol (CID 117108211) is 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(C)cc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol?
The InChIKey is SYELSAJBJATKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-5-6-10(12(15)8-13-2)11(7-9)14(3)4/h5-7,12-13,15H,8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol?
1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117108211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).