1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

C16H18F2N2 — CID 62553243

IUPAC1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2/c1-2-20-15(8-12-4-3-7-19-11-12)10-13-9-14(17)5-6-16(13)18/h3-7,9,11,15,20H,2,8,10H2,1H3
InChIKeyIDVKAGKBYWVCIV-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62553243) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62553243
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2/c1-2-20-15(8-12-4-3-7-19-11-12)10-13-9-14(17)5-6-16(13)18/h3-7,9,11,15,20H,2,8,10H2,1H3
InChIKeyIDVKAGKBYWVCIV-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 62553243) is 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is IDVKAGKBYWVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-20-15(8-12-4-3-7-19-11-12)10-13-9-14(17)5-6-16(13)18/h3-7,9,11,15,20H,2,8,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 276.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62553243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).