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

C14H22N2O — CID 82980533

IUPAC2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2ccccc2O)C1
InChIInChI=1S/C14H22N2O/c1-15-8-7-12(9-15)10-16(2)11-13-5-3-4-6-14(13)17/h3-6,12,17H,7-11H2,1-2H3
InChIKeyIODGFIRXTDBSBO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds4

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

2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol (PubChem CID 82980533) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
PubChem CID82980533
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2ccccc2O)C1
InChIInChI=1S/C14H22N2O/c1-15-8-7-12(9-15)10-16(2)11-13-5-3-4-6-14(13)17/h3-6,12,17H,7-11H2,1-2H3
InChIKeyIODGFIRXTDBSBO-UHFFFAOYSA-N
XLogP1.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 112553641
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
CID 63236813
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol (CID 82980533) is 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol is CN1CCC(CN(C)Cc2ccccc2O)C1.
What is the InChIKey of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol?
The InChIKey is IODGFIRXTDBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-7-12(9-15)10-16(2)11-13-5-3-4-6-14(13)17/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol?
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).