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

C10H13BrFNO — CID 84710699

IUPAC1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(F)cc(Br)c(C)c1C(C)N
InChIInChI=1S/C10H13BrFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3
InChIKeyLDOSWOKDJQZACJ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.92
Rot. Bonds2

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

1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine (PubChem CID 84710699) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
PubChem CID84710699
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(F)cc(Br)c(C)c1C(C)N
InChIInChI=1S/C10H13BrFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3
InChIKeyLDOSWOKDJQZACJ-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.92
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)ethanamine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine (CID 84710699) is 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine is COc1c(F)cc(Br)c(C)c1C(C)N.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
The InChIKey is LDOSWOKDJQZACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3.
What are the key properties of 1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
1-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)ethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.92, 2 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)ethanamine is sourced from PubChem (CID 84710699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).