1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine

C12H17BrFNO — CID 62621665

IUPAC1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-12(15,5-6-16-2)8-9-3-4-10(13)7-11(9)14/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyFLJURUBCRCOBOL-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine

1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine (PubChem CID 62621665) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
PubChem CID62621665
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-12(15,5-6-16-2)8-9-3-4-10(13)7-11(9)14/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyFLJURUBCRCOBOL-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
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1-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-amine
CID 55096347
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
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1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
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1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
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3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
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1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
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CID 88874839
CID 88874839

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine (CID 62621665) is 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine is COCCC(C)(N)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine?
The InChIKey is FLJURUBCRCOBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-12(15,5-6-16-2)8-9-3-4-10(13)7-11(9)14/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine?
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine has a molecular weight of 290.18 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine is sourced from PubChem (CID 62621665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).