6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol

C10H14BrNO2 — CID 84710112

IUPAC6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(C(C)N)c1O
InChIInChI=1S/C10H14BrNO2/c1-5-8(11)4-7(6(2)12)9(13)10(5)14-3/h4,6,13H,12H2,1-3H3
InChIKeyQSBCMEVIHGBFOB-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds2

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

6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol (PubChem CID 84710112) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
PubChem CID84710112
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(C(C)N)c1O
InChIInChI=1S/C10H14BrNO2/c1-5-8(11)4-7(6(2)12)9(13)10(5)14-3/h4,6,13H,12H2,1-3H3
InChIKeyQSBCMEVIHGBFOB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
CID 117403931
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
methyl 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117490300
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
CID 117432734
2-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387
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
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol?
The IUPAC name of 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol (CID 84710112) is 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol is COc1c(C)c(Br)cc(C(C)N)c1O.
What is the InChIKey of 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol?
The InChIKey is QSBCMEVIHGBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-5-8(11)4-7(6(2)12)9(13)10(5)14-3/h4,6,13H,12H2,1-3H3.
What are the key properties of 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol?
6-(1-aminoethyl)-4-bromo-2-methoxy-3-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 6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol is sourced from PubChem (CID 84710112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).