1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine

C12H17BrFN — CID 65020142

IUPAC1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(13)4-5-11(9)14/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyCNYLDKXPHUEFCD-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine

1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 65020142) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
PubChem CID65020142
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(13)4-5-11(9)14/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyCNYLDKXPHUEFCD-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
CID 63408200
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
CID 62621665
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine (CID 65020142) is 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine is CCCC(C)(N)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is CNYLDKXPHUEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-6-12(2,15)8-9-7-10(13)4-5-11(9)14/h4-5,7H,3,6,8,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 65020142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).