2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol

C13H20N2O2 — CID 54950208

IUPAC2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1ccc(CNC2CCN(C)C2)cc1O
InChIInChI=1S/C13H20N2O2/c1-15-6-5-11(9-15)14-8-10-3-4-13(17-2)12(16)7-10/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyDMLLINPFJAGRKM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol

2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 54950208) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
PubChem CID54950208
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1ccc(CNC2CCN(C)C2)cc1O
InChIInChI=1S/C13H20N2O2/c1-15-6-5-11(9-15)14-8-10-3-4-13(17-2)12(16)7-10/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyDMLLINPFJAGRKM-UHFFFAOYSA-N
XLogP1.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]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

2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol (CID 54950208) is 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol is COc1ccc(CNC2CCN(C)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is DMLLINPFJAGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-6-5-11(9-15)14-8-10-3-4-13(17-2)12(16)7-10/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol?
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 54950208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).