2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol

C17H21NO — CID 61056739

IUPAC2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol
SMILESCNC(CO)(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-13-9-10-16(14(2)11-13)17(12-19,18-3)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3
InChIKeyIFVXPGMNNAQEHR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.76
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol

2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol (PubChem CID 61056739) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol
PubChem CID61056739
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol
SMILESCNC(CO)(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-13-9-10-16(14(2)11-13)17(12-19,18-3)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3
InChIKeyIFVXPGMNNAQEHR-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
CID 61047988
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
CID 62774556
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
CID 131741516
1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
CID 175050709
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
CID 131741515
2-(2,4-dimethylphenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049729
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
CID 64805338
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol (CID 61056739) is 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol is CNC(CO)(c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol?
The InChIKey is IFVXPGMNNAQEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-9-10-16(14(2)11-13)17(12-19,18-3)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol?
2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol has a molecular weight of 255.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol is sourced from PubChem (CID 61056739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).