2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol

C15H24N2O — CID 113227167

IUPAC2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCc1cc(CNCC2CCCN2C)cc(C)c1O
InChIInChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18)9-16-10-14-5-4-6-17(14)3/h7-8,14,16,18H,4-6,9-10H2,1-3H3
InChIKeyGZMNOOVRZQESJZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds4

About 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol

2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (PubChem CID 113227167) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
PubChem CID113227167
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
SMILESCc1cc(CNCC2CCCN2C)cc(C)c1O
InChIInChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18)9-16-10-14-5-4-6-17(14)3/h7-8,14,16,18H,4-6,9-10H2,1-3H3
InChIKeyGZMNOOVRZQESJZ-UHFFFAOYSA-N
XLogP2.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
CID 107740729
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
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-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol (CID 113227167) is 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is Cc1cc(CNCC2CCCN2C)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
The InChIKey is GZMNOOVRZQESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-13(8-12(2)15(11)18)9-16-10-14-5-4-6-17(14)3/h7-8,14,16,18H,4-6,9-10H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol?
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 113227167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).