(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride

C11H16Cl3NO — CID 171160232

IUPAC(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-2-3-10(15)11(14)7-4-8(12)6-9(13)5-7;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m0./s1
InChIKeySPEXFMJYUJBBOT-VZXYPILPSA-N
MW284.61 g/mol
LogP3.58
Rot. Bonds4

About (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride (PubChem CID 171160232) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
PubChem CID171160232
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-2-3-10(15)11(14)7-4-8(12)6-9(13)5-7;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m0./s1
InChIKeySPEXFMJYUJBBOT-VZXYPILPSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171160851
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171265212
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
CID 171265211
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride (CID 171160232) is (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride?
The InChIKey is SPEXFMJYUJBBOT-VZXYPILPSA-N. The full InChI is InChI=1S/C11H15Cl2NO.ClH/c1-2-3-10(15)11(14)7-4-8(12)6-9(13)5-7;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride has a molecular weight of 284.61 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171160232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).