2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride

C9H13BrClNO — CID 138109643

IUPAC2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
SMILESCc1cc(Br)ccc1C(N)CO.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6-4-7(10)2-3-8(6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H
InChIKeyPKSIKAJSFIOGCW-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride

2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride (PubChem CID 138109643) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
PubChem CID138109643
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
SMILESCc1cc(Br)ccc1C(N)CO.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6-4-7(10)2-3-8(6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H
InChIKeyPKSIKAJSFIOGCW-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
ethyl 3-amino-3-(4-bromo-2-methylphenyl)propanoate
CID 4311402
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-[(1S)-1-amino-2-hydroxyethyl]-3-methylbenzoic acid
CID 66513892

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride (CID 138109643) is 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride is Cc1cc(Br)ccc1C(N)CO.Cl.
What is the InChIKey of 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride?
The InChIKey is PKSIKAJSFIOGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-6-4-7(10)2-3-8(6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H.
What are the key properties of 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride?
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 138109643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).