3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol

C11H16Cl2N2O — CID 116911758

IUPAC3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
SMILESCN(C)C(c1ccc(Cl)c(Cl)c1)C(O)CN
InChIInChI=1S/C11H16Cl2N2O/c1-15(2)11(10(16)6-14)7-3-4-8(12)9(13)5-7/h3-5,10-11,16H,6,14H2,1-2H3
InChIKeyQUOAKQKNSAXRHL-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol

3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol (PubChem CID 116911758) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
PubChem CID116911758
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
SMILESCN(C)C(c1ccc(Cl)c(Cl)c1)C(O)CN
InChIInChI=1S/C11H16Cl2N2O/c1-15(2)11(10(16)6-14)7-3-4-8(12)9(13)5-7/h3-5,10-11,16H,6,14H2,1-2H3
InChIKeyQUOAKQKNSAXRHL-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 116911685
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-amino-2-(3,4-dichlorophenyl)-4-methylsulfonylpentan-3-ol
CID 104522693
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol (CID 116911758) is 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol is CN(C)C(c1ccc(Cl)c(Cl)c1)C(O)CN.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol?
The InChIKey is QUOAKQKNSAXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-15(2)11(10(16)6-14)7-3-4-8(12)9(13)5-7/h3-5,10-11,16H,6,14H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol?
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol has a molecular weight of 263.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol is sourced from PubChem (CID 116911758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).