4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol

C13H19NO2 — CID 3042748

IUPAC4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
SMILESCc1cc(O)c(CN2CCOCC2)cc1C
InChIInChI=1S/C13H19NO2/c1-10-7-12(13(15)8-11(10)2)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyAOXCBRQKKRUDBF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds2

About 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol

4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol (PubChem CID 3042748) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
PubChem CID3042748
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
SMILESCc1cc(O)c(CN2CCOCC2)cc1C
InChIInChI=1S/C13H19NO2/c1-10-7-12(13(15)8-11(10)2)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyAOXCBRQKKRUDBF-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol?
The IUPAC name of 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol (CID 3042748) is 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol is Cc1cc(O)c(CN2CCOCC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol?
The InChIKey is AOXCBRQKKRUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(13(15)8-11(10)2)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol?
4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 3042748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).