N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine

C17H21FN2 — CID 83119801

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCNC(C)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-13(15-6-4-3-5-7-15)10-11-19-14(2)17-9-8-16(18)12-20-17/h3-9,12-14,19H,10-11H2,1-2H3
InChIKeyJNNBHABGZMCHBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.07
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine (PubChem CID 83119801) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
PubChem CID83119801
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCNC(C)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-13(15-6-4-3-5-7-15)10-11-19-14(2)17-9-8-16(18)12-20-17/h3-9,12-14,19H,10-11H2,1-2H3
InChIKeyJNNBHABGZMCHBY-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

N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N-[cyclopropyl(phenyl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117763
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine (CID 83119801) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine is CC(CCNC(C)c1ccc(F)cn1)c1ccccc1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine?
The InChIKey is JNNBHABGZMCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(15-6-4-3-5-7-15)10-11-19-14(2)17-9-8-16(18)12-20-17/h3-9,12-14,19H,10-11H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-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 N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 83119801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).