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

C17H21FN2 — CID 66447962

IUPAC1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C(C)c1ccncc1
InChIInChI=1S/C17H21FN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3
InChIKeyZOSYAGYJWXOCQR-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.07
Rot. Bonds6

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

1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66447962) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66447962
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C(C)c1ccncc1
InChIInChI=1S/C17H21FN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3
InChIKeyZOSYAGYJWXOCQR-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66447962) is 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1ccc(F)cc1)C(C)c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is ZOSYAGYJWXOCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 4.07, 6 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-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).