1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine

C12H17BrFNO — CID 103394558

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C12H17BrFNO/c1-4-5-11(15-2)8-6-9(13)10(14)7-12(8)16-3/h6-7,11,15H,4-5H2,1-3H3
InChIKeyFWDIFKBCPHBMJJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.66
Rot. Bonds5

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

1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 103394558) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID103394558
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C12H17BrFNO/c1-4-5-11(15-2)8-6-9(13)10(14)7-12(8)16-3/h6-7,11,15H,4-5H2,1-3H3
InChIKeyFWDIFKBCPHBMJJ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 103394522
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 103394668
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 103394560
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 103394612

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine (CID 103394558) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine is CCCC(NC)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is FWDIFKBCPHBMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-4-5-11(15-2)8-6-9(13)10(14)7-12(8)16-3/h6-7,11,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 290.18 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 103394558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).