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

C9H13BrClNO — CID 178200438

IUPAC2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN)cc1Br.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6-2-3-7(4-8(6)10)9(12)5-11;/h2-4,9,12H,5,11H2,1H3;1H
InChIKeyRAIIDCKUOZRPCC-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.17
Rot. Bonds2

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

2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride (PubChem CID 178200438) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
PubChem CID178200438
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN)cc1Br.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-6-2-3-7(4-8(6)10)9(12)5-11;/h2-4,9,12H,5,11H2,1H3;1H
InChIKeyRAIIDCKUOZRPCC-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

2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
CID 84710742
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22852732
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985
2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468734
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
(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;hydrochloride?
The IUPAC name of 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride (CID 178200438) is 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride is Cc1ccc(C(O)CN)cc1Br.Cl.
What is the InChIKey of 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride?
The InChIKey is RAIIDCKUOZRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-6-2-3-7(4-8(6)10)9(12)5-11;/h2-4,9,12H,5,11H2,1H3;1H.
What are the key properties of 2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride?
2-amino-1-(3-bromo-4-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-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 178200438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).