1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

C17H21FN2 — CID 62552908

IUPAC1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-2-8-20-17(12-15-6-4-9-19-13-15)11-14-5-3-7-16(18)10-14/h3-7,9-10,13,17,20H,2,8,11-12H2,1H3
InChIKeyUKKAVENNGGPOHQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.37
Rot. Bonds7

About 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62552908) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62552908
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2/c1-2-8-20-17(12-15-6-4-9-19-13-15)11-14-5-3-7-16(18)10-14/h3-7,9-10,13,17,20H,2,8,11-12H2,1H3
InChIKeyUKKAVENNGGPOHQ-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801501
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (CID 62552908) is 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is CCCNC(Cc1cccnc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is UKKAVENNGGPOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-8-20-17(12-15-6-4-9-19-13-15)11-14-5-3-7-16(18)10-14/h3-7,9-10,13,17,20H,2,8,11-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 272.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62552908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).