2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine

C10H21FN2 — CID 107443610

IUPAC2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCCN1
InChIInChI=1S/C10H21FN2/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h7-10,13H,3-6,12H2,1-2H3
InChIKeyZZYIJPSBDZXQGM-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.31
Rot. Bonds4

About 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443610) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443610
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCCN1
InChIInChI=1S/C10H21FN2/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h7-10,13H,3-6,12H2,1-2H3
InChIKeyZZYIJPSBDZXQGM-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
1-pyrrolidin-2-ylethane-1,2-diamine
CID 10866359
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-(1-fluoro-4-methylpentyl)piperidine
CID 106634845
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-4-methyl-2-[(2R)-piperidin-2-yl]pentan-1-amine
CID 95241639
2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine
CID 106640244
(2R)-4-methyl-2-[(2S)-piperidin-2-yl]pentan-1-amine
CID 95241637
2-[fluoro-(4-methylcyclohexyl)methyl]-3-methylbutan-1-amine
CID 107443654
N,N,2-trimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116906314
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine (CID 107443610) is 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCCN1.
What is the InChIKey of 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is ZZYIJPSBDZXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-7(2)8(6-12)10(11)9-4-3-5-13-9/h7-10,13H,3-6,12H2,1-2H3.
What are the key properties of 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 188.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).