5-(1-amino-2-hydroxypropyl)-2-bromophenol

C9H12BrNO2 — CID 130041665

IUPAC5-(1-amino-2-hydroxypropyl)-2-bromophenol
SMILESCC(O)C(N)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H12BrNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3
InChIKeyJTYKADXGCINRGQ-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.54
Rot. Bonds2

About 5-(1-amino-2-hydroxypropyl)-2-bromophenol

5-(1-amino-2-hydroxypropyl)-2-bromophenol (PubChem CID 130041665) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxypropyl)-2-bromophenol.

Molecular Properties

Compound Name5-(1-amino-2-hydroxypropyl)-2-bromophenol
PubChem CID130041665
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-(1-amino-2-hydroxypropyl)-2-bromophenol
SMILESCC(O)C(N)c1ccc(Br)c(O)c1
InChIInChI=1S/C9H12BrNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3
InChIKeyJTYKADXGCINRGQ-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 130612128

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxypropyl)-2-bromophenol?
The IUPAC name of 5-(1-amino-2-hydroxypropyl)-2-bromophenol (CID 130041665) is 5-(1-amino-2-hydroxypropyl)-2-bromophenol.
What is the SMILES notation for 5-(1-amino-2-hydroxypropyl)-2-bromophenol?
The canonical SMILES for 5-(1-amino-2-hydroxypropyl)-2-bromophenol is CC(O)C(N)c1ccc(Br)c(O)c1.
What is the InChIKey of 5-(1-amino-2-hydroxypropyl)-2-bromophenol?
The InChIKey is JTYKADXGCINRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3.
What are the key properties of 5-(1-amino-2-hydroxypropyl)-2-bromophenol?
5-(1-amino-2-hydroxypropyl)-2-bromophenol has a molecular weight of 246.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxypropyl)-2-bromophenol is sourced from PubChem (CID 130041665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).