3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol

C10H14BrNO2 — CID 117403931

IUPAC3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1C(C)N
InChIInChI=1S/C10H14BrNO2/c1-5-7(11)4-8(13)10(14-3)9(5)6(2)12/h4,6,13H,12H2,1-3H3
InChIKeyLASYXIIBNAGSQY-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds2

About 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol

3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol (PubChem CID 117403931) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
PubChem CID117403931
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1C(C)N
InChIInChI=1S/C10H14BrNO2/c1-5-7(11)4-8(13)10(14-3)9(5)6(2)12/h4,6,13H,12H2,1-3H3
InChIKeyLASYXIIBNAGSQY-UHFFFAOYSA-N
XLogP2.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
3-amino-3-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)propanoic acid
CID 117488976
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
2-(1-aminoethyl)-3-bromo-4,5-dimethoxyphenol
CID 84714360
2-(1-aminoethyl)-4-bromo-3-methylphenol
CID 84693263
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol?
The IUPAC name of 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol (CID 117403931) is 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol.
What is the SMILES notation for 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol?
The canonical SMILES for 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol is COc1c(O)cc(Br)c(C)c1C(C)N.
What is the InChIKey of 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol?
The InChIKey is LASYXIIBNAGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-5-7(11)4-8(13)10(14-3)9(5)6(2)12/h4,6,13H,12H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol?
3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol has a molecular weight of 260.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol is sourced from PubChem (CID 117403931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).