2-fluoro-N-(1-pyridin-3-ylethyl)aniline

C13H13FN2 — CID 43194891

IUPAC2-fluoro-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1F)c1cccnc1
InChIInChI=1S/C13H13FN2/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-10,16H,1H3
InChIKeySWQKXFDOVOPYET-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.39
Rot. Bonds3

About 2-fluoro-N-(1-pyridin-3-ylethyl)aniline

2-fluoro-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43194891) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-fluoro-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43194891
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-fluoro-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1F)c1cccnc1
InChIInChI=1S/C13H13FN2/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-10,16H,1H3
InChIKeySWQKXFDOVOPYET-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43192339
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-fluoro-N-(1-pyridin-3-ylethyl)aniline (CID 43194891) is 2-fluoro-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1-pyridin-3-ylethyl)aniline is CC(Nc1ccccc1F)c1cccnc1.
What is the InChIKey of 2-fluoro-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is SWQKXFDOVOPYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-10(11-5-4-8-15-9-11)16-13-7-3-2-6-12(13)14/h2-10,16H,1H3.
What are the key properties of 2-fluoro-N-(1-pyridin-3-ylethyl)aniline?
2-fluoro-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 216.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43194891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).