2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine

C13H19FN2 — CID 22692501

IUPAC2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H19FN2/c1-15-10-13(16-8-2-3-9-16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeySFNYYCYBDMABGM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine

2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 22692501) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID22692501
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H19FN2/c1-15-10-13(16-8-2-3-9-16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeySFNYYCYBDMABGM-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-fluorobenzenesulfonamide
CID 7498058
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
CID 124756832

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine (CID 22692501) is 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine is CNCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is SFNYYCYBDMABGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-15-10-13(16-8-2-3-9-16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine?
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 22692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).