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

C14H22N2O2 — CID 117237323

IUPAC2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
SMILESCCN1CCC(C(N)COc2ccccc2O)C1
InChIInChI=1S/C14H22N2O2/c1-2-16-8-7-11(9-16)12(15)10-18-14-6-4-3-5-13(14)17/h3-6,11-12,17H,2,7-10,15H2,1H3
InChIKeyMCRVZOBCSIEFLI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.44
Rot. Bonds5

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

2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol (PubChem CID 117237323) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
PubChem CID117237323
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
SMILESCCN1CCC(C(N)COc2ccccc2O)C1
InChIInChI=1S/C14H22N2O2/c1-2-16-8-7-11(9-16)12(15)10-18-14-6-4-3-5-13(14)17/h3-6,11-12,17H,2,7-10,15H2,1H3
InChIKeyMCRVZOBCSIEFLI-UHFFFAOYSA-N
XLogP1.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117237301
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol?
The IUPAC name of 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol (CID 117237323) is 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol.
What is the SMILES notation for 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol?
The canonical SMILES for 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol is CCN1CCC(C(N)COc2ccccc2O)C1.
What is the InChIKey of 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol?
The InChIKey is MCRVZOBCSIEFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16-8-7-11(9-16)12(15)10-18-14-6-4-3-5-13(14)17/h3-6,11-12,17H,2,7-10,15H2,1H3.
What are the key properties of 2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol?
2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.44, 5 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-ethylpyrrolidin-3-yl)ethoxy]phenol is sourced from PubChem (CID 117237323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).