2-amino-2-(2-methylphenyl)ethanol

C9H13NO — CID 18690212

IUPAC2-amino-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(N)CO
InChIInChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(10)6-11/h2-5,9,11H,6,10H2,1H3
InChIKeyWBOFHSAPFDGCGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-2-(2-methylphenyl)ethanol

2-amino-2-(2-methylphenyl)ethanol (PubChem CID 18690212) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-amino-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-methylphenyl)ethanol
PubChem CID18690212
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-amino-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(N)CO
InChIInChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(10)6-11/h2-5,9,11H,6,10H2,1H3
InChIKeyWBOFHSAPFDGCGW-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-methylphenyl)ethanol (CID 18690212) is 2-amino-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-methylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-methylphenyl)ethanol is Cc1ccccc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-methylphenyl)ethanol?
The InChIKey is WBOFHSAPFDGCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(10)6-11/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 2-amino-2-(2-methylphenyl)ethanol?
2-amino-2-(2-methylphenyl)ethanol has a molecular weight of 151.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 18690212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).