1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine

C13H21FN2 — CID 63717242

IUPAC1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(F)c1)C(C)CC
InChIInChI=1S/C13H21FN2/c1-4-6-16-13(10(3)5-2)11-7-12(14)9-15-8-11/h7-10,13,16H,4-6H2,1-3H3
InChIKeySVWHXOHLQHXCRZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.31
Rot. Bonds6

About 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine

1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 63717242) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
PubChem CID63717242
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(F)c1)C(C)CC
InChIInChI=1S/C13H21FN2/c1-4-6-16-13(10(3)5-2)11-7-12(14)9-15-8-11/h7-10,13,16H,4-6H2,1-3H3
InChIKeySVWHXOHLQHXCRZ-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
2-methyl-N-propyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 79445771
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43495812
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81020324
N-[(4-chloro-3-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105164514
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine (CID 63717242) is 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cncc(F)c1)C(C)CC.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is SVWHXOHLQHXCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-6-16-13(10(3)5-2)11-7-12(14)9-15-8-11/h7-10,13,16H,4-6H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine?
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 224.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63717242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).