(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol

C10H14BrNO2 — CID 28602583

IUPAC(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-7-2-3-10(9(11)4-7)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1
InChIKeyZPYCFMHGECWXPR-MRVPVSSYSA-N
MW260.13 g/mol
LogP1.46
Rot. Bonds4

About (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol

(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol (PubChem CID 28602583) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
PubChem CID28602583
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-7-2-3-10(9(11)4-7)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1
InChIKeyZPYCFMHGECWXPR-MRVPVSSYSA-N
XLogP1.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-bromo-4-methylphenoxy)-3-ethoxypropan-2-ol
CID 129402931
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79250467
1-(2-bromo-4-methylphenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 60633111
methyl 2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]propanoate
CID 61499795
1-(2-bromo-4-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640849
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
1-(2-bromo-4-methylphenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)amino]propan-2-ol
CID 63296401
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901590
1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633338
3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
CID 43368818
1-amino-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 24701939

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol (CID 28602583) is (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)CN)c(Br)c1.
What is the InChIKey of (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol?
The InChIKey is ZPYCFMHGECWXPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-2-3-10(9(11)4-7)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol?
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 28602583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).