(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol

C10H14BrNO2 — CID 130969127

IUPAC(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)c([C@@H](N)[C@@H](C)O)c1
InChIInChI=1S/C10H14BrNO2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,12H2,1-2H3/t6-,10+/m1/s1
InChIKeyQCEPYBVAEYEURS-LDWIPMOCSA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds3

About (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol

(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol (PubChem CID 130969127) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
PubChem CID130969127
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(Br)c([C@@H](N)[C@@H](C)O)c1
InChIInChI=1S/C10H14BrNO2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,12H2,1-2H3/t6-,10+/m1/s1
InChIKeyQCEPYBVAEYEURS-LDWIPMOCSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171248016
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol (CID 130969127) is (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol is COc1ccc(Br)c([C@@H](N)[C@@H](C)O)c1.
What is the InChIKey of (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
The InChIKey is QCEPYBVAEYEURS-LDWIPMOCSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-6,10,13H,12H2,1-2H3/t6-,10+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol?
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130969127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).