3-(Dimethylamino)phenol

C8H11NO — CID 7421

IUPAC3-(dimethylamino)phenol
SMILESCN(C)C1=CC(=CC=C1)O
InChIInChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKeyMESJRHHDBDCQTH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.60
Rot. Bonds1

About 3-(Dimethylamino)phenol

3-(Dimethylamino)phenol (PubChem CID 7421) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(dimethylamino)phenol.

Molecular Properties

Compound Name3-(Dimethylamino)phenol
PubChem CID7421
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(dimethylamino)phenol
SMILESCN(C)C1=CC(=CC=C1)O
InChIInChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKeyMESJRHHDBDCQTH-UHFFFAOYSA-N
XLogP1.60
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity103

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(Dimethylamino)phenol?
The IUPAC name of 3-(Dimethylamino)phenol (CID 7421) is 3-(dimethylamino)phenol.
What is the SMILES notation for 3-(Dimethylamino)phenol?
The canonical SMILES for 3-(Dimethylamino)phenol is CN(C)C1=CC(=CC=C1)O.
What is the InChIKey of 3-(Dimethylamino)phenol?
The InChIKey is MESJRHHDBDCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3.
What are the key properties of 3-(Dimethylamino)phenol?
3-(Dimethylamino)phenol has a molecular weight of 137.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Dimethylamino)phenol is sourced from PubChem (CID 7421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).