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

C13H19BrFN — CID 62604665

IUPAC1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)3-5-12(16)8-10-7-11(15)4-6-13(10)14/h4,6-7,9,12H,3,5,8,16H2,1-2H3
InChIKeyKZUWTWFJCINUMY-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.89
Rot. Bonds5

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

1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine (PubChem CID 62604665) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
PubChem CID62604665
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)3-5-12(16)8-10-7-11(15)4-6-13(10)14/h4,6-7,9,12H,3,5,8,16H2,1-2H3
InChIKeyKZUWTWFJCINUMY-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-(2-bromo-5-fluorophenyl)-1-N,1-N-diethylbutane-1,3-diamine
CID 79087890
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799862

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine (CID 62604665) is 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine is CC(C)CCC(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine?
The InChIKey is KZUWTWFJCINUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)3-5-12(16)8-10-7-11(15)4-6-13(10)14/h4,6-7,9,12H,3,5,8,16H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine?
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine is sourced from PubChem (CID 62604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).