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

C11H14Cl3NO — CID 171265211

IUPAC(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl3NO/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/t9-,11+/m0/s1
InChIKeyLHGONXVVJBXJBN-GXSJLCMTSA-N
MW282.60 g/mol
LogP3.81
Rot. Bonds4

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

(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol (PubChem CID 171265211) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
PubChem CID171265211
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl3NO/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/t9-,11+/m0/s1
InChIKeyLHGONXVVJBXJBN-GXSJLCMTSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.81
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;hydrochloride
CID 171265212
(1S,2R)-1-amino-1-(2,3,5-trichlorophenyl)butan-2-ol
CID 131404134
1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
CID 130060995
(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
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
CID 130975304
(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
CID 171267737
(1S,2R)-1-amino-1-(2,3,6-trichlorophenyl)pentan-2-ol
CID 171270454
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,5-trichlorophenyl)propan-2-ol
CID 171270878
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295
(1S)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol (CID 171265211) is (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol?
The InChIKey is LHGONXVVJBXJBN-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14Cl3NO/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/t9-,11+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol?
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol has a molecular weight of 282.60 g/mol, XLogP of 3.81, 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 is sourced from PubChem (CID 171265211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).