4-methyl-3-(methylamino)phenol

C8H11NO — CID 22639

IUPAC4-methyl-3-(methylamino)phenol
SMILESCNc1cc(O)ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(10)5-8(6)9-2/h3-5,9-10H,1-2H3
InChIKeyQQOKUOJOGXTCMN-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-3-(methylamino)phenol

4-methyl-3-(methylamino)phenol (PubChem CID 22639) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)phenol.

Molecular Properties

Compound Name4-methyl-3-(methylamino)phenol
PubChem CID22639
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-methyl-3-(methylamino)phenol
SMILESCNc1cc(O)ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(10)5-8(6)9-2/h3-5,9-10H,1-2H3
InChIKeyQQOKUOJOGXTCMN-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)phenol?
The IUPAC name of 4-methyl-3-(methylamino)phenol (CID 22639) is 4-methyl-3-(methylamino)phenol.
What is the SMILES notation for 4-methyl-3-(methylamino)phenol?
The canonical SMILES for 4-methyl-3-(methylamino)phenol is CNc1cc(O)ccc1C.
What is the InChIKey of 4-methyl-3-(methylamino)phenol?
The InChIKey is QQOKUOJOGXTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-7(10)5-8(6)9-2/h3-5,9-10H,1-2H3.
What are the key properties of 4-methyl-3-(methylamino)phenol?
4-methyl-3-(methylamino)phenol has a molecular weight of 137.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)phenol is sourced from PubChem (CID 22639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).