3-(2-hydroxyethylamino)-4-methylphenol

C9H13NO2 — CID 19042667

IUPAC3-(2-hydroxyethylamino)-4-methylphenol
SMILESCc1ccc(O)cc1NCCO
InChIInChI=1S/C9H13NO2/c1-7-2-3-8(12)6-9(7)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3
InChIKeyCSXIQCGDZSXFSZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds3

About 3-(2-hydroxyethylamino)-4-methylphenol

3-(2-hydroxyethylamino)-4-methylphenol (PubChem CID 19042667) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-4-methylphenol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-4-methylphenol
PubChem CID19042667
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2-hydroxyethylamino)-4-methylphenol
SMILESCc1ccc(O)cc1NCCO
InChIInChI=1S/C9H13NO2/c1-7-2-3-8(12)6-9(7)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3
InChIKeyCSXIQCGDZSXFSZ-UHFFFAOYSA-N
XLogP1.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-4-methylphenol?
The IUPAC name of 3-(2-hydroxyethylamino)-4-methylphenol (CID 19042667) is 3-(2-hydroxyethylamino)-4-methylphenol.
What is the SMILES notation for 3-(2-hydroxyethylamino)-4-methylphenol?
The canonical SMILES for 3-(2-hydroxyethylamino)-4-methylphenol is Cc1ccc(O)cc1NCCO.
What is the InChIKey of 3-(2-hydroxyethylamino)-4-methylphenol?
The InChIKey is CSXIQCGDZSXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-2-3-8(12)6-9(7)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3.
What are the key properties of 3-(2-hydroxyethylamino)-4-methylphenol?
3-(2-hydroxyethylamino)-4-methylphenol has a molecular weight of 167.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-4-methylphenol is sourced from PubChem (CID 19042667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).