1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine

C11H15BrFNO — CID 84810981

IUPAC1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-10(15-3)8(12)5-9(7)13/h4-5H,6,14H2,1-3H3
InChIKeyPHGQWSZDCILBOE-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine

1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 84810981) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID84810981
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)c(F)cc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-10(15-3)8(12)5-9(7)13/h4-5H,6,14H2,1-3H3
InChIKeyPHGQWSZDCILBOE-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
2-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine (CID 84810981) is 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)c(F)cc1Br.
What is the InChIKey of 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is PHGQWSZDCILBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,14)6-7-4-10(15-3)8(12)5-9(7)13/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine?
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 276.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).