2-amino-2-(3,4-dibromophenyl)ethanol

C8H9Br2NO — CID 77130608

IUPAC2-amino-2-(3,4-dibromophenyl)ethanol
SMILESNC(CO)c1ccc(Br)c(Br)c1
InChIInChI=1S/C8H9Br2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyZKWRVFQEEWTNFS-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.20
Rot. Bonds2

About 2-amino-2-(3,4-dibromophenyl)ethanol

2-amino-2-(3,4-dibromophenyl)ethanol (PubChem CID 77130608) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 2-amino-2-(3,4-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,4-dibromophenyl)ethanol
PubChem CID77130608
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name2-amino-2-(3,4-dibromophenyl)ethanol
SMILESNC(CO)c1ccc(Br)c(Br)c1
InChIInChI=1S/C8H9Br2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2
InChIKeyZKWRVFQEEWTNFS-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
CID 103846559
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dibromophenyl)ethanol?
The IUPAC name of 2-amino-2-(3,4-dibromophenyl)ethanol (CID 77130608) is 2-amino-2-(3,4-dibromophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,4-dibromophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,4-dibromophenyl)ethanol is NC(CO)c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-amino-2-(3,4-dibromophenyl)ethanol?
The InChIKey is ZKWRVFQEEWTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-2-(3,4-dibromophenyl)ethanol?
2-amino-2-(3,4-dibromophenyl)ethanol has a molecular weight of 294.97 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dibromophenyl)ethanol is sourced from PubChem (CID 77130608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).