2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride

C17H22ClNO — CID 12549119

IUPAC2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCNCC(C)(O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(19,13-18-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16,18-19H,13H2,1-2H3;1H
InChIKeyUICOMKRXXJFAPO-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.21
Rot. Bonds5

About 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride

2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride (PubChem CID 12549119) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
PubChem CID12549119
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCNCC(C)(O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(19,13-18-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16,18-19H,13H2,1-2H3;1H
InChIKeyUICOMKRXXJFAPO-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride (CID 12549119) is 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride is CNCC(C)(O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The InChIKey is UICOMKRXXJFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-17(19,13-18-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16,18-19H,13H2,1-2H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).