(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol

C12H15Cl2NO — CID 171162059

IUPAC(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
SMILESN[C@@H](c1c(Cl)cccc1Cl)[C@H](O)C1CCC1
InChIInChI=1S/C12H15Cl2NO/c13-8-5-2-6-9(14)10(8)11(15)12(16)7-3-1-4-7/h2,5-7,11-12,16H,1,3-4,15H2/t11-,12+/m0/s1
InChIKeyUVQZBHWDOBRRCT-NWDGAFQWSA-N
MW260.16 g/mol
LogP3.15
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol

(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol (PubChem CID 171162059) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
PubChem CID171162059
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
SMILESN[C@@H](c1c(Cl)cccc1Cl)[C@H](O)C1CCC1
InChIInChI=1S/C12H15Cl2NO/c13-8-5-2-6-9(14)10(8)11(15)12(16)7-3-1-4-7/h2,5-7,11-12,16H,1,3-4,15H2/t11-,12+/m0/s1
InChIKeyUVQZBHWDOBRRCT-NWDGAFQWSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(1R,2S)-2-amino-1-cyclohexyl-2-(2,3,6-trichlorophenyl)ethanol;hydrochloride
CID 171270446
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 171265841
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
[cyclobutyl-(2,6-dichlorophenyl)methyl]hydrazine
CID 105340127
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol (CID 171162059) is (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol is N[C@@H](c1c(Cl)cccc1Cl)[C@H](O)C1CCC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is UVQZBHWDOBRRCT-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-8-5-2-6-9(14)10(8)11(15)12(16)7-3-1-4-7/h2,5-7,11-12,16H,1,3-4,15H2/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol?
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 260.16 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 171162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).