1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine

C12H17BrFN — CID 107893441

IUPAC1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-4-8(2)12(15)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyFFVNNRPMESFBLE-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine

1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine (PubChem CID 107893441) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
PubChem CID107893441
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-4-8(2)12(15)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyFFVNNRPMESFBLE-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)hexan-3-amine
CID 83048380
ethyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)-2-fluoropropanoate
CID 171246056
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
4-bromo-2-fluoro-1-nonan-5-ylbenzene
CID 178088907
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine (CID 107893441) is 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine?
The InChIKey is FFVNNRPMESFBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-4-8(2)12(15)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine?
1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 107893441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).