1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C14H22FN3 — CID 113447268

IUPAC1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccncc1F)N1CCCC1
InChIInChI=1S/C14H22FN3/c1-3-14(2,18-8-4-5-9-18)13(16)11-6-7-17-10-12(11)15/h6-7,10,13H,3-5,8-9,16H2,1-2H3
InChIKeyPTZHFMYPVCXKGF-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 113447268) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID113447268
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccncc1F)N1CCCC1
InChIInChI=1S/C14H22FN3/c1-3-14(2,18-8-4-5-9-18)13(16)11-6-7-17-10-12(11)15/h6-7,10,13H,3-5,8-9,16H2,1-2H3
InChIKeyPTZHFMYPVCXKGF-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
2-(azepan-1-yl)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-ol
CID 104738047
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
CID 79069493
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 113447268) is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(N)c1ccncc1F)N1CCCC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is PTZHFMYPVCXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-14(2,18-8-4-5-9-18)13(16)11-6-7-17-10-12(11)15/h6-7,10,13H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 113447268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).