N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline

C14H12F4N2O — CID 83118814

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
SMILESCC(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H12F4N2O/c1-9(13-7-2-10(15)8-19-13)20-11-3-5-12(6-4-11)21-14(16,17)18/h2-9,20H,1H3
InChIKeySXDNANOUYIANGE-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline (PubChem CID 83118814) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
PubChem CID83118814
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
SMILESCC(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H12F4N2O/c1-9(13-7-2-10(15)8-19-13)20-11-3-5-12(6-4-11)21-14(16,17)18/h2-9,20H,1H3
InChIKeySXDNANOUYIANGE-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 102613167
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline (CID 83118814) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline is CC(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline?
The InChIKey is SXDNANOUYIANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-9(13-7-2-10(15)8-19-13)20-11-3-5-12(6-4-11)21-14(16,17)18/h2-9,20H,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline has a molecular weight of 300.26 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 83118814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).