1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

C17H20F2N2 — CID 114931955

IUPAC1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-2-8-21-14(10-13-5-4-9-20-12-13)11-15-16(18)6-3-7-17(15)19/h3-7,9,12,14,21H,2,8,10-11H2,1H3
InChIKeyPTSHWUMOPXOYRM-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.51
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 114931955) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
PubChem CID114931955
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-2-8-21-14(10-13-5-4-9-20-12-13)11-15-16(18)6-3-7-17(15)19/h3-7,9,12,14,21H,2,8,10-11H2,1H3
InChIKeyPTSHWUMOPXOYRM-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
[1-(2,6-difluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342897
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (CID 114931955) is 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is CCCNC(Cc1cccnc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is PTSHWUMOPXOYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-2-8-21-14(10-13-5-4-9-20-12-13)11-15-16(18)6-3-7-17(15)19/h3-7,9,12,14,21H,2,8,10-11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 114931955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).