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

C15H15F3N2 — CID 62315023

IUPACN-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-11-4-2-5-12(10-11)7-9-20-14-13(15(16,17)18)6-3-8-19-14/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeyHCBVFDASMNDHBW-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.06
Rot. Bonds4

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

N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 62315023) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID62315023
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-11-4-2-5-12(10-11)7-9-20-14-13(15(16,17)18)6-3-8-19-14/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeyHCBVFDASMNDHBW-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111668161
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 62315023) is N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1cccc(CCNc2ncccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HCBVFDASMNDHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-11-4-2-5-12(10-11)7-9-20-14-13(15(16,17)18)6-3-8-19-14/h2-6,8,10H,7,9H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.29 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62315023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).