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

C12H18ClNO — CID 84791951

IUPAC2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
SMILESCC(C)(C)c1ccc(Cl)cc1C(N)CO
InChIInChI=1S/C12H18ClNO/c1-12(2,3)10-5-4-8(13)6-9(10)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3
InChIKeySDYDRZBKCGTLLR-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.63
Rot. Bonds2

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

2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol (PubChem CID 84791951) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
PubChem CID84791951
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol
SMILESCC(C)(C)c1ccc(Cl)cc1C(N)CO
InChIInChI=1S/C12H18ClNO/c1-12(2,3)10-5-4-8(13)6-9(10)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3
InChIKeySDYDRZBKCGTLLR-UHFFFAOYSA-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-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 91646208
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
1-(2-tert-butylphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055595
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol?
The IUPAC name of 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol (CID 84791951) is 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol is CC(C)(C)c1ccc(Cl)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol?
The InChIKey is SDYDRZBKCGTLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)10-5-4-8(13)6-9(10)11(14)7-15/h4-6,11,15H,7,14H2,1-3H3.
What are the key properties of 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol?
2-amino-2-(2-tert-butyl-5-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 2-amino-2-(2-tert-butyl-5-chlorophenyl)ethanol is sourced from PubChem (CID 84791951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).