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

C14H22N2O2 — CID 54927262

IUPAC2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2CCN(C)C2)cc1O
InChIInChI=1S/C14H22N2O2/c1-16-6-5-12(10-16)9-15-8-11-3-4-14(18-2)13(17)7-11/h3-4,7,12,15,17H,5-6,8-10H2,1-2H3
InChIKeyIUTLQCDGZBMUQW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.44
Rot. Bonds5

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

2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol (PubChem CID 54927262) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
PubChem CID54927262
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2CCN(C)C2)cc1O
InChIInChI=1S/C14H22N2O2/c1-16-6-5-12(10-16)9-15-8-11-3-4-14(18-2)13(17)7-11/h3-4,7,12,15,17H,5-6,8-10H2,1-2H3
InChIKeyIUTLQCDGZBMUQW-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
CID 56823449
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
N-[(3-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 115876249
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855920
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
CID 62734294

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol (CID 54927262) is 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol is COc1ccc(CNCC2CCN(C)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol?
The InChIKey is IUTLQCDGZBMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-6-5-12(10-16)9-15-8-11-3-4-14(18-2)13(17)7-11/h3-4,7,12,15,17H,5-6,8-10H2,1-2H3.
What are the key properties of 2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol?
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.44, 5 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)methylamino]methyl]phenol is sourced from PubChem (CID 54927262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).