(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

C12H17Cl2NO — CID 10445397

IUPAC(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)[C@](C)(CO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(8-16,15(2)3)7-9-4-5-10(13)11(14)6-9/h4-6,16H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyFWYRGHMKHZXXQX-LBPRGKRZSA-N
MW262.18 g/mol
LogP2.85
Rot. Bonds4

About (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 10445397) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
PubChem CID10445397
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)[C@](C)(CO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(8-16,15(2)3)7-9-4-5-10(13)11(14)6-9/h4-6,16H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyFWYRGHMKHZXXQX-LBPRGKRZSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-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

(2S)-3-(3,4-dichlorophenyl)-2-methyl-2-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 18655230
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanenitrile
CID 84751936
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol (CID 10445397) is (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is CN(C)[C@](C)(CO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is FWYRGHMKHZXXQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(8-16,15(2)3)7-9-4-5-10(13)11(14)6-9/h4-6,16H,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol?
(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 10445397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).