3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol

C18H23NO — CID 12549089

IUPAC3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
SMILESCc1ccccc1C(c1ccccc1)C(O)CN(C)C
InChIInChI=1S/C18H23NO/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15/h4-12,17-18,20H,13H2,1-3H3
InChIKeyQSRRIHWNLZIBTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.05
Rot. Bonds5

About 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol

3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol (PubChem CID 12549089) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
PubChem CID12549089
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
SMILESCc1ccccc1C(c1ccccc1)C(O)CN(C)C
InChIInChI=1S/C18H23NO/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15/h4-12,17-18,20H,13H2,1-3H3
InChIKeyQSRRIHWNLZIBTH-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 79472078
1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine
CID 90158415
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
CID 79299341
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
(2R)-3-[3-hydroxypropyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 129396199

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol?
The IUPAC name of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol (CID 12549089) is 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol is Cc1ccccc1C(c1ccccc1)C(O)CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol?
The InChIKey is QSRRIHWNLZIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15/h4-12,17-18,20H,13H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol?
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).