N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

C16H18F2N2 — CID 62802705

IUPACN-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-2-7-20-16(9-12-4-3-8-19-11-12)14-6-5-13(17)10-15(14)18/h3-6,8,10-11,16,20H,2,7,9H2,1H3
InChIKeyLGPYPWYOTPQLBB-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 62802705) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID62802705
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-2-7-20-16(9-12-4-3-8-19-11-12)14-6-5-13(17)10-15(14)18/h3-6,8,10-11,16,20H,2,7,9H2,1H3
InChIKeyLGPYPWYOTPQLBB-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-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 62802705) is N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is LGPYPWYOTPQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-7-20-16(9-12-4-3-8-19-11-12)14-6-5-13(17)10-15(14)18/h3-6,8,10-11,16,20H,2,7,9H2,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(2,4-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-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 62802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).