6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride

C8H12BrClN2O — CID 171256402

IUPAC6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride
SMILESC[C@@H](N)c1c(Br)ccc(N)c1O.Cl
InChIInChI=1S/C8H11BrN2O.ClH/c1-4(10)7-5(9)2-3-6(11)8(7)12;/h2-4,12H,10-11H2,1H3;1H/t4-;/m1./s1
InChIKeyOCPQVVDFKAQAQV-PGMHMLKASA-N
MW267.55 g/mol
LogP2.18
Rot. Bonds1

About 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride

6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride (PubChem CID 171256402) has the molecular formula C8H12BrClN2O and a molecular weight of 267.55 g/mol. Its IUPAC name is 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride.

Molecular Properties

Compound Name6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride
PubChem CID171256402
Molecular FormulaC8H12BrClN2O
Molecular Weight267.55 g/mol
Exact Mass265.98
IUPAC Name6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride
SMILESC[C@@H](N)c1c(Br)ccc(N)c1O.Cl
InChIInChI=1S/C8H11BrN2O.ClH/c1-4(10)7-5(9)2-3-6(11)8(7)12;/h2-4,12H,10-11H2,1H3;1H/t4-;/m1./s1
InChIKeyOCPQVVDFKAQAQV-PGMHMLKASA-N
XLogP2.18
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[(1S)-1-aminobutyl]-3-bromophenol;hydrochloride
CID 171253086
2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
CID 130885199
6-amino-2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromophenol;hydrochloride
CID 171253088
6-amino-2-[(1R)-1-aminobut-3-enyl]-3-bromophenol;hydrochloride
CID 171256416
methyl (3S)-3-amino-3-(3-amino-6-bromo-2-hydroxyphenyl)propanoate
CID 171253064
2-(1-aminoethyl)-4-bromo-3-methylphenol
CID 84693263
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
6-amino-3-bromo-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenol
CID 171300008
2-[(1S)-1-amino-3-methylbutyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252974
2-[(1S)-1-aminobutyl]-3,6-dibromophenol;hydrochloride
CID 171253320
6-amino-3-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171297552
6-amino-3-bromo-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171297531

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride?
The IUPAC name of 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride (CID 171256402) is 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride.
What is the SMILES notation for 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride?
The canonical SMILES for 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride is C[C@@H](N)c1c(Br)ccc(N)c1O.Cl.
What is the InChIKey of 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride?
The InChIKey is OCPQVVDFKAQAQV-PGMHMLKASA-N. The full InChI is InChI=1S/C8H11BrN2O.ClH/c1-4(10)7-5(9)2-3-6(11)8(7)12;/h2-4,12H,10-11H2,1H3;1H/t4-;/m1./s1.
What are the key properties of 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride?
6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride has a molecular weight of 267.55 g/mol, XLogP of 2.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride is sourced from PubChem (CID 171256402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).