N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine

C18H23FN2 — CID 115938566

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(CC)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-8-17(14-9-6-5-7-10-14)21-16(4-2)18-12-11-15(19)13-20-18/h5-7,9-13,16-17,21H,3-4,8H2,1-2H3
InChIKeyXABTVJUJEASMRI-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.80
Rot. Bonds7

About N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine (PubChem CID 115938566) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
PubChem CID115938566
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(CC)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-8-17(14-9-6-5-7-10-14)21-16(4-2)18-12-11-15(19)13-20-18/h5-7,9-13,16-17,21H,3-4,8H2,1-2H3
InChIKeyXABTVJUJEASMRI-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115938648
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine (CID 115938566) is N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine is CCCC(NC(CC)c1ccc(F)cn1)c1ccccc1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine?
The InChIKey is XABTVJUJEASMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-8-17(14-9-6-5-7-10-14)21-16(4-2)18-12-11-15(19)13-20-18/h5-7,9-13,16-17,21H,3-4,8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 115938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).