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

C11H23FN2 — CID 168724519

IUPAC2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
SMILESCC(C)N1CC[C@H](CN(C)CCF)C1
InChIInChI=1S/C11H23FN2/c1-10(2)14-6-4-11(9-14)8-13(3)7-5-12/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyCXCKQQHABZEQHK-LLVKDONJSA-N
MW202.32 g/mol
LogP1.62
Rot. Bonds5

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

2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine (PubChem CID 168724519) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
PubChem CID168724519
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
SMILESCC(C)N1CC[C@H](CN(C)CCF)C1
InChIInChI=1S/C11H23FN2/c1-10(2)14-6-4-11(9-14)8-13(3)7-5-12/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyCXCKQQHABZEQHK-LLVKDONJSA-N
XLogP1.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
(3R)-N-(3-fluoropropyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 168724522
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 178102077
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131913600
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 131926271
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119134803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine (CID 168724519) is 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine is CC(C)N1CC[C@H](CN(C)CCF)C1.
What is the InChIKey of 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is CXCKQQHABZEQHK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23FN2/c1-10(2)14-6-4-11(9-14)8-13(3)7-5-12/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine?
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 202.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 168724519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).