(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol

C12H18ClNO — CID 66515156

IUPAC(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
SMILESCC(C)(C)c1ccc(Cl)c([C@@H](N)CO)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)8-4-5-10(13)9(6-8)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m0/s1
InChIKeyBXGCYGXWOKJQED-NSHDSACASA-N
MW227.74 g/mol
LogP2.63
Rot. Bonds2

About (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol

(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol (PubChem CID 66515156) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
PubChem CID66515156
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
SMILESCC(C)(C)c1ccc(Cl)c([C@@H](N)CO)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)8-4-5-10(13)9(6-8)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m0/s1
InChIKeyBXGCYGXWOKJQED-NSHDSACASA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
CID 84791951
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229213

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol (CID 66515156) is (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol is CC(C)(C)c1ccc(Cl)c([C@@H](N)CO)c1.
What is the InChIKey of (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol?
The InChIKey is BXGCYGXWOKJQED-NSHDSACASA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)8-4-5-10(13)9(6-8)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol?
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol has a molecular weight of 227.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol is sourced from PubChem (CID 66515156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).