2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol

C13H19FN2O — CID 107699202

IUPAC2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)C1CCNC1
InChIInChI=1S/C13H19FN2O/c1-2-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17/h3-4,7,12,15,17H,2,5-6,8-9H2,1H3
InChIKeyJIPQHSRIGBRUPG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.72
Rot. Bonds4

About 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol

2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol (PubChem CID 107699202) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
PubChem CID107699202
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)C1CCNC1
InChIInChI=1S/C13H19FN2O/c1-2-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17/h3-4,7,12,15,17H,2,5-6,8-9H2,1H3
InChIKeyJIPQHSRIGBRUPG-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-5-fluorobenzonitrile
CID 63300323
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
CID 63300526
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-4-fluorophenol
CID 107699302
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol (CID 107699202) is 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol is CCN(Cc1cc(F)ccc1O)C1CCNC1.
What is the InChIKey of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol?
The InChIKey is JIPQHSRIGBRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-16(12-5-6-15-8-12)9-10-7-11(14)3-4-13(10)17/h3-4,7,12,15,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol?
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol has a molecular weight of 238.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 107699202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).