3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine

C16H19F2N3 — CID 79517746

IUPAC3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3/c1-2-8-20-14(10-11-5-4-9-21-16(11)19)15-12(17)6-3-7-13(15)18/h3-7,9,14,20H,2,8,10H2,1H3,(H2,19,21)
InChIKeyZVFXWPZSHPJRIM-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine

3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 79517746) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID79517746
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)c1c(F)cccc1F
InChIInChI=1S/C16H19F2N3/c1-2-8-20-14(10-11-5-4-9-21-16(11)19)15-12(17)6-3-7-13(15)18/h3-7,9,14,20H,2,8,10H2,1H3,(H2,19,21)
InChIKeyZVFXWPZSHPJRIM-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 81269673
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
3-[2-(2,2-dimethylcyclopropyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 107925499
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine (CID 79517746) is 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1cccnc1N)c1c(F)cccc1F.
What is the InChIKey of 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is ZVFXWPZSHPJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-2-8-20-14(10-11-5-4-9-21-16(11)19)15-12(17)6-3-7-13(15)18/h3-7,9,14,20H,2,8,10H2,1H3,(H2,19,21).
What are the key properties of 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine?
3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 79517746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).