2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine

C10H11BrF3N — CID 117452946

IUPAC2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3
InChIKeyDJBMZYZKPVZKLK-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.53
Rot. Bonds2

About 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine

2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 117452946) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID117452946
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3
InChIKeyDJBMZYZKPVZKLK-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631
3-amino-2-[2-bromo-6-(trifluoromethyl)phenyl]propanoic acid
CID 117496566
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
CID 131992955
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
3-[2-methoxy-6-(trifluoromethyl)phenyl]butan-1-amine
CID 117370072
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
CID 130505913
2-[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117119361

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine (CID 117452946) is 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine is CC(CN)c1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DJBMZYZKPVZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3.
What are the key properties of 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine?
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 282.10 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117452946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).