4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol

C15H24N2O2 — CID 117237493

IUPAC4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
SMILESCC(C)N1CCC(C(N)COc2ccc(O)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-7-12(9-17)15(16)10-19-14-5-3-13(18)4-6-14/h3-6,11-12,15,18H,7-10,16H2,1-2H3
InChIKeyQEKWDRRBHJVUHM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds5

About 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol

4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol (PubChem CID 117237493) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
PubChem CID117237493
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
SMILESCC(C)N1CCC(C(N)COc2ccc(O)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-7-12(9-17)15(16)10-19-14-5-3-13(18)4-6-14/h3-6,11-12,15,18H,7-10,16H2,1-2H3
InChIKeyQEKWDRRBHJVUHM-UHFFFAOYSA-N
XLogP1.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol?
The IUPAC name of 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol (CID 117237493) is 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol.
What is the SMILES notation for 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol?
The canonical SMILES for 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol is CC(C)N1CCC(C(N)COc2ccc(O)cc2)C1.
What is the InChIKey of 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol?
The InChIKey is QEKWDRRBHJVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-8-7-12(9-17)15(16)10-19-14-5-3-13(18)4-6-14/h3-6,11-12,15,18H,7-10,16H2,1-2H3.
What are the key properties of 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol?
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol is sourced from PubChem (CID 117237493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).