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

C12H17BrFNO — CID 64574241

IUPAC1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO/c1-3-12(2,15)8-16-7-9-4-5-10(14)6-11(9)13/h4-6H,3,7-8,15H2,1-2H3
InChIKeyUYYFIKKADZFAEM-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.23
Rot. Bonds5

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

1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine (PubChem CID 64574241) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
PubChem CID64574241
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO/c1-3-12(2,15)8-16-7-9-4-5-10(14)6-11(9)13/h4-6H,3,7-8,15H2,1-2H3
InChIKeyUYYFIKKADZFAEM-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
CID 105372271
2-bromo-1-(3,3-dimethylbutoxymethyl)-4-fluorobenzene
CID 66225152
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
2-bromo-4-fluoro-1-(4,4,4-trifluorobutoxymethyl)benzene
CID 82787646
2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62724903
1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene
CID 91759019
2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
CID 66276998
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
2-[(2-amino-2-ethylbutoxy)methyl]-4-fluorobenzonitrile
CID 114014527

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine (CID 64574241) is 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine?
The InChIKey is UYYFIKKADZFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-12(2,15)8-16-7-9-4-5-10(14)6-11(9)13/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine?
1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine has a molecular weight of 290.18 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 64574241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).