2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine

C7H15FN2 — CID 134444038

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CC[C@H](F)C1
InChIInChI=1S/C7H15FN2/c1-9-3-5-10-4-2-7(8)6-10/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyYTDNWYUZSFUJGD-ZETCQYMHSA-N
MW146.21 g/mol
LogP0.25
Rot. Bonds3

About 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine

2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine (PubChem CID 134444038) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
PubChem CID134444038
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CC[C@H](F)C1
InChIInChI=1S/C7H15FN2/c1-9-3-5-10-4-2-7(8)6-10/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyYTDNWYUZSFUJGD-ZETCQYMHSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
3-(4-fluoroazepan-1-yl)-N-methylpropan-1-amine
CID 115017634
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
2-(3-azabicyclo[3.2.1]octan-3-yl)-N-methylethanamine
CID 83980400
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
CID 142317678
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine (CID 134444038) is 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine is CNCCN1CC[C@H](F)C1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine?
The InChIKey is YTDNWYUZSFUJGD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-3-5-10-4-2-7(8)6-10/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine?
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134444038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).