(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol

C10H14BrNO2 — CID 130727947

IUPAC(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Br)ccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C10H14BrNO2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m0/s1
InChIKeyNFPWPZHVXKIWPW-WKEGUHRASA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds3

About (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol

(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol (PubChem CID 130727947) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
PubChem CID130727947
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Br)ccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C10H14BrNO2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m0/s1
InChIKeyNFPWPZHVXKIWPW-WKEGUHRASA-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-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-bromo-6-methoxyphenol
CID 131422660
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044773
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol (CID 130727947) is (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol is COc1cc(Br)ccc1[C@@H](N)[C@H](C)O.
What is the InChIKey of (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol?
The InChIKey is NFPWPZHVXKIWPW-WKEGUHRASA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(13)10(12)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol?
(1R,2S)-1-amino-1-(4-bromo-2-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,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130727947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).