3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline

C13H11F3N2 — CID 62810175

IUPAC3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1cc(F)c(F)c(F)c1)c1cccnc1
InChIInChI=1S/C13H11F3N2/c1-8(9-3-2-4-17-7-9)18-10-5-11(14)13(16)12(15)6-10/h2-8,18H,1H3
InChIKeyNNAWXYRIFVIEHR-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.67
Rot. Bonds3

About 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline

3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 62810175) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
PubChem CID62810175
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1cc(F)c(F)c(F)c1)c1cccnc1
InChIInChI=1S/C13H11F3N2/c1-8(9-3-2-4-17-7-9)18-10-5-11(14)13(16)12(15)6-10/h2-8,18H,1H3
InChIKeyNNAWXYRIFVIEHR-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
2-bromo-4,6-difluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43347635
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline (CID 62810175) is 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline is CC(Nc1cc(F)c(F)c(F)c1)c1cccnc1.
What is the InChIKey of 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is NNAWXYRIFVIEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8(9-3-2-4-17-7-9)18-10-5-11(14)13(16)12(15)6-10/h2-8,18H,1H3.
What are the key properties of 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline?
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 252.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 62810175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).