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

C13H20N2O2 — CID 117237295

IUPAC2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
SMILESCN1CCC(C(N)COc2ccccc2O)C1
InChIInChI=1S/C13H20N2O2/c1-15-7-6-10(8-15)11(14)9-17-13-5-3-2-4-12(13)16/h2-5,10-11,16H,6-9,14H2,1H3
InChIKeyAVASJJFITVUCIX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.05
Rot. Bonds4

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

2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol (PubChem CID 117237295) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
PubChem CID117237295
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
SMILESCN1CCC(C(N)COc2ccccc2O)C1
InChIInChI=1S/C13H20N2O2/c1-15-7-6-10(8-15)11(14)9-17-13-5-3-2-4-12(13)16/h2-5,10-11,16H,6-9,14H2,1H3
InChIKeyAVASJJFITVUCIX-UHFFFAOYSA-N
XLogP1.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
CID 117237323
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117237301
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The IUPAC name of 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol (CID 117237295) is 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol.
What is the SMILES notation for 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The canonical SMILES for 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol is CN1CCC(C(N)COc2ccccc2O)C1.
What is the InChIKey of 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The InChIKey is AVASJJFITVUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-7-6-10(8-15)11(14)9-17-13-5-3-2-4-12(13)16/h2-5,10-11,16H,6-9,14H2,1H3.
What are the key properties of 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol is sourced from PubChem (CID 117237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).