6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol

C10H14BrNO3 — CID 84714365

IUPAC6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(C(O)CN)c1O
InChIInChI=1S/C10H14BrNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,8,13-14H,4,12H2,1-2H3
InChIKeyROWHAUBOYQBEHU-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.46
Rot. Bonds3

About 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol

6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol (PubChem CID 84714365) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
PubChem CID84714365
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(C(O)CN)c1O
InChIInChI=1S/C10H14BrNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,8,13-14H,4,12H2,1-2H3
InChIKeyROWHAUBOYQBEHU-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
CID 117432734
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol (CID 84714365) is 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol is COc1c(C)c(Br)cc(C(O)CN)c1O.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol?
The InChIKey is ROWHAUBOYQBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,8,13-14H,4,12H2,1-2H3.
What are the key properties of 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol?
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol has a molecular weight of 276.13 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol is sourced from PubChem (CID 84714365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).