2-amino-3-methyl-6-propan-2-ylphenol

C10H15NO — CID 3020287

IUPAC2-amino-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N
InChIInChI=1S/C10H15NO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,11H2,1-3H3
InChIKeySCBMXGBZXCDNLH-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.41
Rot. Bonds1

About 2-amino-3-methyl-6-propan-2-ylphenol

2-amino-3-methyl-6-propan-2-ylphenol (PubChem CID 3020287) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-amino-3-methyl-6-propan-2-ylphenol
PubChem CID3020287
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N
InChIInChI=1S/C10H15NO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,11H2,1-3H3
InChIKeySCBMXGBZXCDNLH-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-amino-3-methyl-6-propan-2-ylphenol (CID 3020287) is 2-amino-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-amino-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-amino-3-methyl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1N.
What is the InChIKey of 2-amino-3-methyl-6-propan-2-ylphenol?
The InChIKey is SCBMXGBZXCDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,11H2,1-3H3.
What are the key properties of 2-amino-3-methyl-6-propan-2-ylphenol?
2-amino-3-methyl-6-propan-2-ylphenol has a molecular weight of 165.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 3020287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).