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

C11H15Cl4NO — CID 171265212

IUPAC(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl.Cl
InChIInChI=1S/C11H14Cl3NO.ClH/c1-2-3-9(16)11(15)7-4-6(12)5-8(13)10(7)14;/h4-5,9,11,16H,2-3,15H2,1H3;1H/t9-,11+;/m0./s1
InChIKeyIQWWMNLYUHAVOO-QLSWKGBWSA-N
MW319.06 g/mol
LogP4.23
Rot. Bonds4

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

(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride (PubChem CID 171265212) has the molecular formula C11H15Cl4NO and a molecular weight of 319.06 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
PubChem CID171265212
Molecular FormulaC11H15Cl4NO
Molecular Weight319.06 g/mol
Exact Mass316.99
IUPAC Name(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl.Cl
InChIInChI=1S/C11H14Cl3NO.ClH/c1-2-3-9(16)11(15)7-4-6(12)5-8(13)10(7)14;/h4-5,9,11,16H,2-3,15H2,1H3;1H/t9-,11+;/m0./s1
InChIKeyIQWWMNLYUHAVOO-QLSWKGBWSA-N
XLogP4.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
CID 171265211
(1S,2R)-1-amino-1-(2,3,5-trichlorophenyl)butan-2-ol
CID 131404134
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
CID 130060995
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038
(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
CID 171267737
(1S)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000
(1S,2R)-1-amino-1-(2,3,6-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171270455
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
CID 130975304
2-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dichlorophenol;hydrochloride
CID 171265912

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride (CID 171265212) is (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride?
The InChIKey is IQWWMNLYUHAVOO-QLSWKGBWSA-N. The full InChI is InChI=1S/C11H14Cl3NO.ClH/c1-2-3-9(16)11(15)7-4-6(12)5-8(13)10(7)14;/h4-5,9,11,16H,2-3,15H2,1H3;1H/t9-,11+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride has a molecular weight of 319.06 g/mol, XLogP of 4.23, 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-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171265212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).