2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine

C13H12F2N2 — CID 54959804

IUPAC2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C13H12F2N2/c14-11-4-9(5-12(15)7-11)6-13(16)10-2-1-3-17-8-10/h1-5,7-8,13H,6,16H2
InChIKeyUMWJSQAFUSRBNM-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.60
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine

2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine (PubChem CID 54959804) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
PubChem CID54959804
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C13H12F2N2/c14-11-4-9(5-12(15)7-11)6-13(16)10-2-1-3-17-8-10/h1-5,7-8,13H,6,16H2
InChIKeyUMWJSQAFUSRBNM-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
2-(3,5-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503055
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine (CID 54959804) is 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine is NC(Cc1cc(F)cc(F)c1)c1cccnc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine?
The InChIKey is UMWJSQAFUSRBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-11-4-9(5-12(15)7-11)6-13(16)10-2-1-3-17-8-10/h1-5,7-8,13H,6,16H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine?
2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine has a molecular weight of 234.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 54959804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).