(1R)-2-amino-1-(2,3-dibromophenyl)ethanol

C8H9Br2NO — CID 54407818

IUPAC(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
SMILESNC[C@H](O)c1cccc(Br)c1Br
InChIInChI=1S/C8H9Br2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7,12H,4,11H2/t7-/m0/s1
InChIKeyVRZHFYUNUYGVGT-ZETCQYMHSA-N
MW294.97 g/mol
LogP2.20
Rot. Bonds2

About (1R)-2-amino-1-(2,3-dibromophenyl)ethanol

(1R)-2-amino-1-(2,3-dibromophenyl)ethanol (PubChem CID 54407818) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is (1R)-2-amino-1-(2,3-dibromophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
PubChem CID54407818
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
SMILESNC[C@H](O)c1cccc(Br)c1Br
InChIInChI=1S/C8H9Br2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7,12H,4,11H2/t7-/m0/s1
InChIKeyVRZHFYUNUYGVGT-ZETCQYMHSA-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

1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
2-amino-1-(2,3,4-tribromophenyl)ethanol
CID 18627925
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
CID 117115338
1,3-diamino-1-(2-bromophenyl)propan-2-ol
CID 116942608
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2,3-dibromophenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2,3-dibromophenyl)ethanol (CID 54407818) is (1R)-2-amino-1-(2,3-dibromophenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2,3-dibromophenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2,3-dibromophenyl)ethanol is NC[C@H](O)c1cccc(Br)c1Br.
What is the InChIKey of (1R)-2-amino-1-(2,3-dibromophenyl)ethanol?
The InChIKey is VRZHFYUNUYGVGT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9Br2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7,12H,4,11H2/t7-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2,3-dibromophenyl)ethanol?
(1R)-2-amino-1-(2,3-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 (1R)-2-amino-1-(2,3-dibromophenyl)ethanol is sourced from PubChem (CID 54407818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).