1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

C16H19FN2 — CID 81405940

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-3-16(14-4-6-15(17)7-5-14)19-12(2)13-8-10-18-11-9-13/h4-12,16,19H,3H2,1-2H3/t12-,16?/m0/s1
InChIKeyVTNBFPKEMKBRTL-HKALDPMFSA-N
MW258.34 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 81405940) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID81405940
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-3-16(14-4-6-15(17)7-5-14)19-12(2)13-8-10-18-11-9-13/h4-12,16,19H,3H2,1-2H3/t12-,16?/m0/s1
InChIKeyVTNBFPKEMKBRTL-HKALDPMFSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (CID 81405940) is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is CCC(N[C@@H](C)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is VTNBFPKEMKBRTL-HKALDPMFSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-16(14-4-6-15(17)7-5-14)19-12(2)13-8-10-18-11-9-13/h4-12,16,19H,3H2,1-2H3/t12-,16?/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 81405940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).