2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol

C10H15NO2 — CID 130042273

IUPAC2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
SMILESCc1cccc(CO)c1C(N)CO
InChIInChI=1S/C10H15NO2/c1-7-3-2-4-8(5-12)10(7)9(11)6-13/h2-4,9,12-13H,5-6,11H2,1H3
InChIKeyKGYQSLHRFITMKM-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.48
Rot. Bonds3

About 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol

2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol (PubChem CID 130042273) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
PubChem CID130042273
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
SMILESCc1cccc(CO)c1C(N)CO
InChIInChI=1S/C10H15NO2/c1-7-3-2-4-8(5-12)10(7)9(11)6-13/h2-4,9,12-13H,5-6,11H2,1H3
InChIKeyKGYQSLHRFITMKM-UHFFFAOYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol?
The IUPAC name of 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol (CID 130042273) is 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol is Cc1cccc(CO)c1C(N)CO.
What is the InChIKey of 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol?
The InChIKey is KGYQSLHRFITMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-2-4-8(5-12)10(7)9(11)6-13/h2-4,9,12-13H,5-6,11H2,1H3.
What are the key properties of 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol?
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol has a molecular weight of 181.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol is sourced from PubChem (CID 130042273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).