2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol

C13H19FN2O — CID 106023968

IUPAC2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCN1CCCC1CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-16-6-2-3-11(16)9-15-8-10-4-5-13(17)12(14)7-10/h4-5,7,11,15,17H,2-3,6,8-9H2,1H3
InChIKeyDFPJRVLITFCSDM-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.72
Rot. Bonds4

About 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol

2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (PubChem CID 106023968) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
PubChem CID106023968
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCN1CCCC1CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-16-6-2-3-11(16)9-15-8-10-4-5-13(17)12(14)7-10/h4-5,7,11,15,17H,2-3,6,8-9H2,1H3
InChIKeyDFPJRVLITFCSDM-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

Analyze 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
CID 107740729
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (CID 106023968) is 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is CN1CCCC1CNCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The InChIKey is DFPJRVLITFCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-6-2-3-11(16)9-15-8-10-4-5-13(17)12(14)7-10/h4-5,7,11,15,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol 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-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 106023968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).