2,4-dimethyl-5-(methylamino)phenol

C9H13NO — CID 22942479

IUPAC2,4-dimethyl-5-(methylamino)phenol
SMILESCNc1cc(O)c(C)cc1C
InChIInChI=1S/C9H13NO/c1-6-4-7(2)9(11)5-8(6)10-3/h4-5,10-11H,1-3H3
InChIKeyOPLXPRYLTDXFSR-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds1

About 2,4-dimethyl-5-(methylamino)phenol

2,4-dimethyl-5-(methylamino)phenol (PubChem CID 22942479) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,4-dimethyl-5-(methylamino)phenol.

Molecular Properties

Compound Name2,4-dimethyl-5-(methylamino)phenol
PubChem CID22942479
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,4-dimethyl-5-(methylamino)phenol
SMILESCNc1cc(O)c(C)cc1C
InChIInChI=1S/C9H13NO/c1-6-4-7(2)9(11)5-8(6)10-3/h4-5,10-11H,1-3H3
InChIKeyOPLXPRYLTDXFSR-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(methylamino)phenol?
The IUPAC name of 2,4-dimethyl-5-(methylamino)phenol (CID 22942479) is 2,4-dimethyl-5-(methylamino)phenol.
What is the SMILES notation for 2,4-dimethyl-5-(methylamino)phenol?
The canonical SMILES for 2,4-dimethyl-5-(methylamino)phenol is CNc1cc(O)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-5-(methylamino)phenol?
The InChIKey is OPLXPRYLTDXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-7(2)9(11)5-8(6)10-3/h4-5,10-11H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(methylamino)phenol?
2,4-dimethyl-5-(methylamino)phenol has a molecular weight of 151.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(methylamino)phenol is sourced from PubChem (CID 22942479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).