(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol

C9H12BrNO — CID 66515083

IUPAC(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
SMILESCc1ccc([C@@H](N)CO)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyYSVIUORWGXALKI-VIFPVBQESA-N
MW230.10 g/mol
LogP1.75
Rot. Bonds2

About (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol

(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol (PubChem CID 66515083) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
PubChem CID66515083
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
SMILESCc1ccc([C@@H](N)CO)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyYSVIUORWGXALKI-VIFPVBQESA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol (CID 66515083) is (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol is Cc1ccc([C@@H](N)CO)cc1Br.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol?
The InChIKey is YSVIUORWGXALKI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol?
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.75, 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-(3-bromo-4-methylphenyl)ethanol is sourced from PubChem (CID 66515083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).