5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

C15H14BrF3N2 — CID 106796142

IUPAC5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CCNc2ncc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c1-10-3-2-4-11(7-10)5-6-20-14-13(15(17,18)19)8-12(16)9-21-14/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyAKXRLZVTEKMVPS-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.83
Rot. Bonds4

About 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796142) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796142
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC Name5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CCNc2ncc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c1-10-3-2-4-11(7-10)5-6-20-14-13(15(17,18)19)8-12(16)9-21-14/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyAKXRLZVTEKMVPS-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 62315023
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796142) is 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1cccc(CCNc2ncc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AKXRLZVTEKMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c1-10-3-2-4-11(7-10)5-6-20-14-13(15(17,18)19)8-12(16)9-21-14/h2-4,7-9H,5-6H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 359.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).