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

C12H18N2O — CID 105459188

IUPAC2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
SMILESCN1CCC(C(N)c2ccccc2O)C1
InChIInChI=1S/C12H18N2O/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyIMOGQLKTOISQSF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.34
Rot. Bonds2

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

2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol (PubChem CID 105459188) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
PubChem CID105459188
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
SMILESCN1CCC(C(N)c2ccccc2O)C1
InChIInChI=1S/C12H18N2O/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyIMOGQLKTOISQSF-UHFFFAOYSA-N
XLogP1.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol?
The IUPAC name of 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol (CID 105459188) is 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol.
What is the SMILES notation for 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol?
The canonical SMILES for 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol is CN1CCC(C(N)c2ccccc2O)C1.
What is the InChIKey of 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol?
The InChIKey is IMOGQLKTOISQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8,13H2,1H3.
What are the key properties of 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol?
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol is sourced from PubChem (CID 105459188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).