(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol

C9H13BrN2O — CID 130665651

IUPAC(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
SMILESCC(O)[C@H](N)c1ccc(N)cc1Br
InChIInChI=1S/C9H13BrN2O/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,11-12H2,1H3/t5?,9-/m0/s1
InChIKeyXKRNSPLRUSWNSO-YQFNKJDISA-N
MW245.12 g/mol
LogP1.41
Rot. Bonds2

About (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol

(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol (PubChem CID 130665651) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
PubChem CID130665651
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
SMILESCC(O)[C@H](N)c1ccc(N)cc1Br
InChIInChI=1S/C9H13BrN2O/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,11-12H2,1H3/t5?,9-/m0/s1
InChIKeyXKRNSPLRUSWNSO-YQFNKJDISA-N
XLogP1.41
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (1R)-1-amino-1-(4-amino-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

1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
5-amino-2-[(1R)-1-amino-2-hydroxypropyl]benzonitrile
CID 130722452
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol?
The IUPAC name of (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol (CID 130665651) is (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol.
What is the SMILES notation for (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol?
The canonical SMILES for (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol is CC(O)[C@H](N)c1ccc(N)cc1Br.
What is the InChIKey of (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol?
The InChIKey is XKRNSPLRUSWNSO-YQFNKJDISA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,11-12H2,1H3/t5?,9-/m0/s1.
What are the key properties of (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol?
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol is sourced from PubChem (CID 130665651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).