N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine

C13H19FN2 — CID 54792763

IUPACN-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccccc2F)C1
InChIInChI=1S/C13H19FN2/c1-2-15-9-11-7-8-16(10-11)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyDFZRKRABBGMWKC-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.26
Rot. Bonds4

About N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 54792763) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID54792763
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ccccc2F)C1
InChIInChI=1S/C13H19FN2/c1-2-15-9-11-7-8-16(10-11)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyDFZRKRABBGMWKC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-hydroxypropanamide
CID 91790346
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97194615
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014966
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125143348
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
4-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]butanoic acid
CID 122014965
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 54792763) is N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2ccccc2F)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is DFZRKRABBGMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-15-9-11-7-8-16(10-11)13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54792763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).