(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride

C12H18Cl3NO — CID 171162648

IUPAC(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C12H17Cl2NO.ClH/c1-7(2)6-10(16)12(15)8-4-3-5-9(13)11(8)14;/h3-5,7,10,12,16H,6,15H2,1-2H3;1H/t10-,12+;/m1./s1
InChIKeyZFXBVTGDQQQPBV-IYJPBCIQSA-N
MW298.64 g/mol
LogP3.82
Rot. Bonds4

About (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride (PubChem CID 171162648) has the molecular formula C12H18Cl3NO and a molecular weight of 298.64 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
PubChem CID171162648
Molecular FormulaC12H18Cl3NO
Molecular Weight298.64 g/mol
Exact Mass297.05
IUPAC Name(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C12H17Cl2NO.ClH/c1-7(2)6-10(16)12(15)8-4-3-5-9(13)11(8)14;/h3-5,7,10,12,16H,6,15H2,1-2H3;1H/t10-,12+;/m1./s1
InChIKeyZFXBVTGDQQQPBV-IYJPBCIQSA-N
XLogP3.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.64
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171268023
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]phenol;hydrochloride
CID 171162441
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
(1R,2S)-1-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 171160252
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride (CID 171162648) is (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride is CC(C)C[C@@H](O)[C@@H](N)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride?
The InChIKey is ZFXBVTGDQQQPBV-IYJPBCIQSA-N. The full InChI is InChI=1S/C12H17Cl2NO.ClH/c1-7(2)6-10(16)12(15)8-4-3-5-9(13)11(8)14;/h3-5,7,10,12,16H,6,15H2,1-2H3;1H/t10-,12+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride has a molecular weight of 298.64 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 171162648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).