N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

C16H18F2N2 — CID 62791253

IUPACN-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3
InChIKeyUELHKNVLIBUDDB-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 62791253) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID62791253
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3
InChIKeyUELHKNVLIBUDDB-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 62791253) is N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is UELHKNVLIBUDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-5-20-16(7-12-4-3-6-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,6,8-11,16,20H,2,5,7H2,1H3.
What are the key properties of N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 62791253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).