N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine

C16H19FN2 — CID 60818849

IUPACN-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C16H19FN2/c1-2-8-19-16(14-6-4-9-18-12-14)11-13-5-3-7-15(17)10-13/h3-7,9-10,12,16,19H,2,8,11H2,1H3
InChIKeyYLWBALMJKYICEM-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine

N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 60818849) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID60818849
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C16H19FN2/c1-2-8-19-16(14-6-4-9-18-12-14)11-13-5-3-7-15(17)10-13/h3-7,9-10,12,16,19H,2,8,11H2,1H3
InChIKeyYLWBALMJKYICEM-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine (CID 60818849) is N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is YLWBALMJKYICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-2-8-19-16(14-6-4-9-18-12-14)11-13-5-3-7-15(17)10-13/h3-7,9-10,12,16,19H,2,8,11H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine?
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 60818849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).