1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine

C12H17BrFNO — CID 116715046

IUPAC1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFNO/c1-3-12(16-2)11(15)7-8-6-9(14)4-5-10(8)13/h4-6,11-12H,3,7,15H2,1-2H3
InChIKeyFLWWNMVFJODZEL-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine

1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine (PubChem CID 116715046) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
PubChem CID116715046
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFNO/c1-3-12(16-2)11(15)7-8-6-9(14)4-5-10(8)13/h4-6,11-12H,3,7,15H2,1-2H3
InChIKeyFLWWNMVFJODZEL-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

1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine (CID 116715046) is 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine?
The InChIKey is FLWWNMVFJODZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-12(16-2)11(15)7-8-6-9(14)4-5-10(8)13/h4-6,11-12H,3,7,15H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-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-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).