4-[butyl(methyl)amino]phenol;oxolane

C15H25NO2 — CID 174421972

IUPAC4-[butyl(methyl)amino]phenol;oxolane
SMILESC1CCOC1.CCCCN(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO.C4H8O/c1-3-4-9-12(2)10-5-7-11(13)8-6-10;1-2-4-5-3-1/h5-8,13H,3-4,9H2,1-2H3;1-4H2
InChIKeyOQDAWIUNVILPKQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.43
Rot. Bonds4

About 4-[butyl(methyl)amino]phenol;oxolane

4-[butyl(methyl)amino]phenol;oxolane (PubChem CID 174421972) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]phenol;oxolane.

Molecular Properties

Compound Name4-[butyl(methyl)amino]phenol;oxolane
PubChem CID174421972
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[butyl(methyl)amino]phenol;oxolane
SMILESC1CCOC1.CCCCN(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO.C4H8O/c1-3-4-9-12(2)10-5-7-11(13)8-6-10;1-2-4-5-3-1/h5-8,13H,3-4,9H2,1-2H3;1-4H2
InChIKeyOQDAWIUNVILPKQ-UHFFFAOYSA-N
XLogP3.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[butyl(methyl)amino]phenol;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]phenol;oxolane?
The IUPAC name of 4-[butyl(methyl)amino]phenol;oxolane (CID 174421972) is 4-[butyl(methyl)amino]phenol;oxolane.
What is the SMILES notation for 4-[butyl(methyl)amino]phenol;oxolane?
The canonical SMILES for 4-[butyl(methyl)amino]phenol;oxolane is C1CCOC1.CCCCN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]phenol;oxolane?
The InChIKey is OQDAWIUNVILPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C4H8O/c1-3-4-9-12(2)10-5-7-11(13)8-6-10;1-2-4-5-3-1/h5-8,13H,3-4,9H2,1-2H3;1-4H2.
What are the key properties of 4-[butyl(methyl)amino]phenol;oxolane?
4-[butyl(methyl)amino]phenol;oxolane has a molecular weight of 251.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]phenol;oxolane is sourced from PubChem (CID 174421972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).