2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C10H21FN2 — CID 80693739

IUPAC2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)N1CCC(CNCCF)C1
InChIInChI=1S/C10H21FN2/c1-9(2)13-6-3-10(8-13)7-12-5-4-11/h9-10,12H,3-8H2,1-2H3
InChIKeySQUNGEDTMKBBDL-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.28
Rot. Bonds5

About 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 80693739) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID80693739
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)N1CCC(CNCCF)C1
InChIInChI=1S/C10H21FN2/c1-9(2)13-6-3-10(8-13)7-12-5-4-11/h9-10,12H,3-8H2,1-2H3
InChIKeySQUNGEDTMKBBDL-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 81093588
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 81412153
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 103276638
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 80693739) is 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(C)N1CCC(CNCCF)C1.
What is the InChIKey of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is SQUNGEDTMKBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9(2)13-6-3-10(8-13)7-12-5-4-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 188.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 80693739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).