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

C16H18F2N2 — CID 66447218

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1cccc(F)c1F)C(C)c1ccccn1
InChIInChI=1S/C16H18F2N2/c1-3-19-16(11(2)14-9-4-5-10-20-14)12-7-6-8-13(17)15(12)18/h4-11,16,19H,3H2,1-2H3
InChIKeyKIFVKTRLBDSAMJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.81
Rot. Bonds5

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

1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66447218) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66447218
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1cccc(F)c1F)C(C)c1ccccn1
InChIInChI=1S/C16H18F2N2/c1-3-19-16(11(2)14-9-4-5-10-20-14)12-7-6-8-13(17)15(12)18/h4-11,16,19H,3H2,1-2H3
InChIKeyKIFVKTRLBDSAMJ-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 79217320
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
CID 63988196
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (CID 66447218) is 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is CCNC(c1cccc(F)c1F)C(C)c1ccccn1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is KIFVKTRLBDSAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-19-16(11(2)14-9-4-5-10-20-14)12-7-6-8-13(17)15(12)18/h4-11,16,19H,3H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66447218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).