2-amino-1-(3-bromo-4-methylphenyl)ethanol

C9H12BrNO — CID 82474259

IUPAC2-amino-1-(3-bromo-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4,9,12H,5,11H2,1H3
InChIKeyRBXXCKKETRVCLZ-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-1-(3-bromo-4-methylphenyl)ethanol

2-amino-1-(3-bromo-4-methylphenyl)ethanol (PubChem CID 82474259) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-methylphenyl)ethanol
PubChem CID82474259
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-amino-1-(3-bromo-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN)cc1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4,9,12H,5,11H2,1H3
InChIKeyRBXXCKKETRVCLZ-UHFFFAOYSA-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

2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
CID 84710742
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985
2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468734
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22852732
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-methylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-4-methylphenyl)ethanol (CID 82474259) is 2-amino-1-(3-bromo-4-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-4-methylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-4-methylphenyl)ethanol is Cc1ccc(C(O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(3-bromo-4-methylphenyl)ethanol?
The InChIKey is RBXXCKKETRVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-4-methylphenyl)ethanol?
2-amino-1-(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 2-amino-1-(3-bromo-4-methylphenyl)ethanol is sourced from PubChem (CID 82474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).