N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine

C16H19FN2 — CID 64500356

IUPACN-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1cncc(F)c1)c1ccccc1
InChIInChI=1S/C16H19FN2/c1-2-19-16(14-6-4-3-5-7-14)9-8-13-10-15(17)12-18-11-13/h3-7,10-12,16,19H,2,8-9H2,1H3
InChIKeyJZEJCOIZFGYXNX-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds6

About N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine

N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine (PubChem CID 64500356) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
PubChem CID64500356
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1cncc(F)c1)c1ccccc1
InChIInChI=1S/C16H19FN2/c1-2-19-16(14-6-4-3-5-7-14)9-8-13-10-15(17)12-18-11-13/h3-7,10-12,16,19H,2,8-9H2,1H3
InChIKeyJZEJCOIZFGYXNX-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-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106646599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine (CID 64500356) is N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine is CCNC(CCc1cncc(F)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine?
The InChIKey is JZEJCOIZFGYXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-2-19-16(14-6-4-3-5-7-14)9-8-13-10-15(17)12-18-11-13/h3-7,10-12,16,19H,2,8-9H2,1H3.
What are the key properties of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine?
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-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-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 64500356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).