N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine

C13H19FN2 — CID 84753474

IUPACN-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(N2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-2-15-10-11-5-6-12(14)13(9-11)16-7-3-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyAJXHUIYUAXQICR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.54
Rot. Bonds4

About N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine

N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 84753474) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID84753474
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(N2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-2-15-10-11-5-6-12(14)13(9-11)16-7-3-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyAJXHUIYUAXQICR-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]ethanamine
CID 84753459
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 84753615
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 84753243
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 84753474) is N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine is CCNCc1ccc(F)c(N2CCCC2)c1.
What is the InChIKey of N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is AJXHUIYUAXQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-15-10-11-5-6-12(14)13(9-11)16-7-3-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine?
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 84753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).