6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine

C15H14F4N2O — CID 133274740

IUPAC6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F4N2O/c1-10(20-14-4-2-3-13(16)21-14)11-5-7-12(8-6-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyGNYNZEUJCQKTTD-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.33
Rot. Bonds5

About 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine

6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine (PubChem CID 133274740) has the molecular formula C15H14F4N2O and a molecular weight of 314.28 g/mol. Its IUPAC name is 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
PubChem CID133274740
Molecular FormulaC15H14F4N2O
Molecular Weight314.28 g/mol
Exact Mass314.10
IUPAC Name6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F4N2O/c1-10(20-14-4-2-3-13(16)21-14)11-5-7-12(8-6-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyGNYNZEUJCQKTTD-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
2-chloro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-4-amine
CID 133373348
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 47984115
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 47984131
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
3-chloro-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]-1,2-thiazole-4-carbonitrile
CID 47984132
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine (CID 133274740) is 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine is CC(Nc1cccc(F)n1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine?
The InChIKey is GNYNZEUJCQKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O/c1-10(20-14-4-2-3-13(16)21-14)11-5-7-12(8-6-11)22-9-15(17,18)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine?
6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine has a molecular weight of 314.28 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 133274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).