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

C12H17BrFNO — CID 103394326

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C12H17BrFNO/c1-3-4-5-11(15)8-6-9(13)10(14)7-12(8)16-2/h6-7,11H,3-5,15H2,1-2H3
InChIKeyAXBTXZDGTGHGEK-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.79
Rot. Bonds5

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

1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine (PubChem CID 103394326) 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)pentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
PubChem CID103394326
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C12H17BrFNO/c1-3-4-5-11(15)8-6-9(13)10(14)7-12(8)16-2/h6-7,11H,3-5,15H2,1-2H3
InChIKeyAXBTXZDGTGHGEK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine (CID 103394326) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine is CCCCC(N)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine?
The InChIKey is AXBTXZDGTGHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-4-5-11(15)8-6-9(13)10(14)7-12(8)16-2/h6-7,11H,3-5,15H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine has a molecular weight of 290.18 g/mol, XLogP of 3.79, 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)pentan-1-amine is sourced from PubChem (CID 103394326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).