(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol

C9H12BrNO — CID 131030004

IUPAC(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,11H2,1H3/t6-,9-/m0/s1
InChIKeyXPDUPQLMNKNIRL-RCOVLWMOSA-N
MW230.11 g/mol
LogP1.83
Rot. Bonds2

About (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol

(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol (PubChem CID 131030004) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
PubChem CID131030004
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Name(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,11H2,1H3/t6-,9-/m0/s1
InChIKeyXPDUPQLMNKNIRL-RCOVLWMOSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol 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

2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
1,3-diamino-1-(2-bromophenyl)propan-2-ol
CID 116942608
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol (CID 131030004) is (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol is C[C@H](O)[C@H](N)c1ccccc1Br.
What is the InChIKey of (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol?
The InChIKey is XPDUPQLMNKNIRL-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,11H2,1H3/t6-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol?
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol has a molecular weight of 230.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol is sourced from PubChem (CID 131030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).