3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol

C11H15Cl2NO — CID 83924924

IUPAC3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)C(CCO)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)10(6-7-15)11-8(12)4-3-5-9(11)13/h3-5,10,15H,6-7H2,1-2H3
InChIKeyIEYJIPDKHRSBNR-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.98
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol

3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83924924) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83924924
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)C(CCO)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-14(2)10(6-7-15)11-8(12)4-3-5-9(11)13/h3-5,10,15H,6-7H2,1-2H3
InChIKeyIEYJIPDKHRSBNR-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-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

3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
(1S)-1-(2,6-dichlorophenyl)propane-1,3-diol
CID 90422655
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
CID 83930616
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol (CID 83924924) is 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol is CN(C)C(CCO)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is IEYJIPDKHRSBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-14(2)10(6-7-15)11-8(12)4-3-5-9(11)13/h3-5,10,15H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol?
3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83924924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).