1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

C17H21FN2 — CID 62551911

IUPAC1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H21FN2/c1-2-9-20-17(12-15-4-3-10-19-13-15)11-14-5-7-16(18)8-6-14/h3-8,10,13,17,20H,2,9,11-12H2,1H3
InChIKeyXKYDYWXCQXOTFY-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine

1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62551911) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62551911
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H21FN2/c1-2-9-20-17(12-15-4-3-10-19-13-15)11-14-5-7-16(18)8-6-14/h3-8,10,13,17,20H,2,9,11-12H2,1H3
InChIKeyXKYDYWXCQXOTFY-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-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
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
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine
CID 67634519
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine (CID 62551911) is 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is CCCNC(Cc1ccc(F)cc1)Cc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is XKYDYWXCQXOTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-9-20-17(12-15-4-3-10-19-13-15)11-14-5-7-16(18)8-6-14/h3-8,10,13,17,20H,2,9,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine?
1-(4-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-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62551911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).