3-[(2R)-2-aminopropyl]-2-bromophenol

C9H12BrNO — CID 130742864

IUPAC3-[(2R)-2-aminopropyl]-2-bromophenol
SMILESC[C@@H](N)Cc1cccc(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-6(11)5-7-3-2-4-8(12)9(7)10/h2-4,6,12H,5,11H2,1H3/t6-/m1/s1
InChIKeyTUZOSJSIQQXUHX-ZCFIWIBFSA-N
MW230.10 g/mol
LogP2.04
Rot. Bonds2

About 3-[(2R)-2-aminopropyl]-2-bromophenol

3-[(2R)-2-aminopropyl]-2-bromophenol (PubChem CID 130742864) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]-2-bromophenol.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]-2-bromophenol
PubChem CID130742864
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-[(2R)-2-aminopropyl]-2-bromophenol
SMILESC[C@@H](N)Cc1cccc(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-6(11)5-7-3-2-4-8(12)9(7)10/h2-4,6,12H,5,11H2,1H3/t6-/m1/s1
InChIKeyTUZOSJSIQQXUHX-ZCFIWIBFSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2R)-2-aminopropyl]-2-bromophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminopropyl)-2-bromo-3-fluorophenol
CID 117372695
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
3-(2-aminopropyl)-1-benzothiophen-4-ol
CID 117119334
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]-2-bromophenol?
The IUPAC name of 3-[(2R)-2-aminopropyl]-2-bromophenol (CID 130742864) is 3-[(2R)-2-aminopropyl]-2-bromophenol.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]-2-bromophenol?
The canonical SMILES for 3-[(2R)-2-aminopropyl]-2-bromophenol is C[C@@H](N)Cc1cccc(O)c1Br.
What is the InChIKey of 3-[(2R)-2-aminopropyl]-2-bromophenol?
The InChIKey is TUZOSJSIQQXUHX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)5-7-3-2-4-8(12)9(7)10/h2-4,6,12H,5,11H2,1H3/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]-2-bromophenol?
3-[(2R)-2-aminopropyl]-2-bromophenol has a molecular weight of 230.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]-2-bromophenol is sourced from PubChem (CID 130742864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).