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

C12H19FN2 — CID 115919226

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-5-12(3,4)15-9(2)10-6-11(13)8-14-7-10/h6-9,15H,5H2,1-4H3
InChIKeyZOPCTGIMNFDOQX-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.06
Rot. Bonds4

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

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine (PubChem CID 115919226) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
PubChem CID115919226
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-5-12(3,4)15-9(2)10-6-11(13)8-14-7-10/h6-9,15H,5H2,1-4H3
InChIKeyZOPCTGIMNFDOQX-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
CID 134331308
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine (CID 115919226) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NC(C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine?
The InChIKey is ZOPCTGIMNFDOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-5-12(3,4)15-9(2)10-6-11(13)8-14-7-10/h6-9,15H,5H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine has a molecular weight of 210.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115919226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).