2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol

C10H13BrClNO — CID 130611692

IUPAC2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
SMILESCC(C)[C@@H](N)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C10H13BrClNO/c1-5(2)9(13)7-3-6(12)4-8(11)10(7)14/h3-5,9,14H,13H2,1-2H3/t9-/m1/s1
InChIKeyRJRDWTBQGDRBCL-SECBINFHSA-N
MW278.58 g/mol
LogP3.46
Rot. Bonds2

About 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol

2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol (PubChem CID 130611692) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
PubChem CID130611692
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
SMILESCC(C)[C@@H](N)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C10H13BrClNO/c1-5(2)9(13)7-3-6(12)4-8(11)10(7)14/h3-5,9,14H,13H2,1-2H3/t9-/m1/s1
InChIKeyRJRDWTBQGDRBCL-SECBINFHSA-N
XLogP3.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol 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-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
2,6-dibromo-4-chlorophenol
CID 21394
2-(1-amino-3-methylperoxypropyl)-6-bromo-4-chlorophenol
CID 22088841
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
2-[(R)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol
CID 171257056
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
2-[(S)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253713
2-bromo-4-chloro-6-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171298156
2-[(1R,2S)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4,6-dichlorophenol
CID 171160601

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol?
The IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol (CID 130611692) is 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol is CC(C)[C@@H](N)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol?
The InChIKey is RJRDWTBQGDRBCL-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-5(2)9(13)7-3-6(12)4-8(11)10(7)14/h3-5,9,14H,13H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol?
2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol has a molecular weight of 278.58 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol is sourced from PubChem (CID 130611692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).