3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol

C13H19NO2 — CID 82835467

IUPAC3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol
SMILESCc1cc(O)ccc1NCC1CCC(C)O1
InChIInChI=1S/C13H19NO2/c1-9-7-11(15)4-6-13(9)14-8-12-5-3-10(2)16-12/h4,6-7,10,12,14-15H,3,5,8H2,1-2H3
InChIKeyXVDQQYBUECWPJT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.68
Rot. Bonds3

About 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol

3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol (PubChem CID 82835467) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol.

Molecular Properties

Compound Name3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol
PubChem CID82835467
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol
SMILESCc1cc(O)ccc1NCC1CCC(C)O1
InChIInChI=1S/C13H19NO2/c1-9-7-11(15)4-6-13(9)14-8-12-5-3-10(2)16-12/h4,6-7,10,12,14-15H,3,5,8H2,1-2H3
InChIKeyXVDQQYBUECWPJT-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol?
The IUPAC name of 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol (CID 82835467) is 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol.
What is the SMILES notation for 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol?
The canonical SMILES for 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol is Cc1cc(O)ccc1NCC1CCC(C)O1.
What is the InChIKey of 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol?
The InChIKey is XVDQQYBUECWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-11(15)4-6-13(9)14-8-12-5-3-10(2)16-12/h4,6-7,10,12,14-15H,3,5,8H2,1-2H3.
What are the key properties of 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol?
3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-methyloxolan-2-yl)methylamino]phenol is sourced from PubChem (CID 82835467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).