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

C15H24N2O2 — CID 82983909

IUPAC2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
SMILESCOc1ccc(CN(C)CC2CCCN2C)cc1O
InChIInChI=1S/C15H24N2O2/c1-16(11-13-5-4-8-17(13)2)10-12-6-7-15(19-3)14(18)9-12/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3
InChIKeyWTYALZMLQPLKOD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds5

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

2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol (PubChem CID 82983909) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
PubChem CID82983909
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
SMILESCOc1ccc(CN(C)CC2CCCN2C)cc1O
InChIInChI=1S/C15H24N2O2/c1-16(11-13-5-4-8-17(13)2)10-12-6-7-15(19-3)14(18)9-12/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3
InChIKeyWTYALZMLQPLKOD-UHFFFAOYSA-N
XLogP1.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol (CID 82983909) is 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol is COc1ccc(CN(C)CC2CCCN2C)cc1O.
What is the InChIKey of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The InChIKey is WTYALZMLQPLKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16(11-13-5-4-8-17(13)2)10-12-6-7-15(19-3)14(18)9-12/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82983909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).