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

C14H22N2O2 — CID 113229747

IUPAC5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2CCCN2C)c(O)c1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-12(16)10-15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeyBARLFLYMLDOZIX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds5

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

5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (PubChem CID 113229747) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
PubChem CID113229747
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2CCCN2C)c(O)c1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-12(16)10-15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeyBARLFLYMLDOZIX-UHFFFAOYSA-N
XLogP1.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (CID 113229747) is 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is COc1ccc(CNCC2CCCN2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The InChIKey is BARLFLYMLDOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-7-3-4-12(16)10-15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 113229747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).