1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine

C11H15BrFNO — CID 117441852

IUPAC1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(F)cc(Br)c(C)c1CC(C)N
InChIInChI=1S/C11H15BrFNO/c1-6(14)4-8-7(2)9(12)5-10(13)11(8)15-3/h5-6H,4,14H2,1-3H3
InChIKeyTYVIUEXVIWAGEB-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine

1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine (PubChem CID 117441852) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
PubChem CID117441852
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(F)cc(Br)c(C)c1CC(C)N
InChIInChI=1S/C11H15BrFNO/c1-6(14)4-8-7(2)9(12)5-10(13)11(8)15-3/h5-6H,4,14H2,1-3H3
InChIKeyTYVIUEXVIWAGEB-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine (CID 117441852) is 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine is COc1c(F)cc(Br)c(C)c1CC(C)N.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
The InChIKey is TYVIUEXVIWAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-6(14)4-8-7(2)9(12)5-10(13)11(8)15-3/h5-6H,4,14H2,1-3H3.
What are the key properties of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine?
1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine has a molecular weight of 276.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propan-2-amine is sourced from PubChem (CID 117441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).