1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

C13H19FN2 — CID 116951614

IUPAC1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyLPHKSURYHPDCIA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951614) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951614
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyLPHKSURYHPDCIA-UHFFFAOYSA-N
XLogP2.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
[2-cyclopropyl-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216734
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116951835
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951614) is 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is CNC(CC1CCNC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is LPHKSURYHPDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).