2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol

C9H11BrClNO2 — CID 130664393

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
SMILESN[C@H](CCO)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H11BrClNO2/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13/h3-4,8,13-14H,1-2,12H2/t8-/m1/s1
InChIKeyXYRLYPDQPFUYSM-MRVPVSSYSA-N
MW280.55 g/mol
LogP2.19
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol

2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol (PubChem CID 130664393) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
PubChem CID130664393
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
SMILESN[C@H](CCO)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H11BrClNO2/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13/h3-4,8,13-14H,1-2,12H2/t8-/m1/s1
InChIKeyXYRLYPDQPFUYSM-MRVPVSSYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706
2-(1-amino-3-methylperoxypropyl)-6-bromo-4-chlorophenol
CID 22088841
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
CID 131429576
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
2-[(1S)-1-amino-3-hydroxypropyl]-5-bromo-4-chlorophenol
CID 130751961
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
CID 130611692
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
2-[(1S)-1-amino-4-hydroxybutyl]-4-chloro-6-methylphenol
CID 171234646

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol (CID 130664393) is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol is N[C@H](CCO)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol?
The InChIKey is XYRLYPDQPFUYSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13/h3-4,8,13-14H,1-2,12H2/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol?
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol has a molecular weight of 280.55 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol is sourced from PubChem (CID 130664393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).