1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine

C10H15FN2 — CID 63197343

IUPAC1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(F)cn1
InChIInChI=1S/C10H15FN2/c1-7(2)10(12)5-9-4-3-8(11)6-13-9/h3-4,6-7,10H,5,12H2,1-2H3
InChIKeyKUSKUSZCLISLOR-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.75
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine

1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine (PubChem CID 63197343) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine
PubChem CID63197343
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ccc(F)cn1
InChIInChI=1S/C10H15FN2/c1-7(2)10(12)5-9-4-3-8(11)6-13-9/h3-4,6-7,10H,5,12H2,1-2H3
InChIKeyKUSKUSZCLISLOR-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine
CID 63196849
2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine
CID 63203074
1-(5-fluoro-2-pyridinyl)-3-methoxypropan-2-ol
CID 63200549
1-cyclopropyl-2-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 63353175
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
(1R)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-(5-fluoro-2-pyridinyl)ethanamine
CID 59438743
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine
CID 118020376
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine (CID 63197343) is 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The InChIKey is KUSKUSZCLISLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(2)10(12)5-9-4-3-8(11)6-13-9/h3-4,6-7,10H,5,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine has a molecular weight of 182.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine is sourced from PubChem (CID 63197343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).