1-(2-methyl-4-phenylanilino)ethanol

C15H17NO — CID 139522902

IUPAC1-(2-methyl-4-phenylanilino)ethanol
SMILESCc1cc(-c2ccccc2)ccc1NC(C)O
InChIInChI=1S/C15H17NO/c1-11-10-14(13-6-4-3-5-7-13)8-9-15(11)16-12(2)17/h3-10,12,16-17H,1-2H3
InChIKeyZQEVXRYIIRKUPZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.41
Rot. Bonds3

About 1-(2-methyl-4-phenylanilino)ethanol

1-(2-methyl-4-phenylanilino)ethanol (PubChem CID 139522902) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylanilino)ethanol.

Molecular Properties

Compound Name1-(2-methyl-4-phenylanilino)ethanol
PubChem CID139522902
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(2-methyl-4-phenylanilino)ethanol
SMILESCc1cc(-c2ccccc2)ccc1NC(C)O
InChIInChI=1S/C15H17NO/c1-11-10-14(13-6-4-3-5-7-13)8-9-15(11)16-12(2)17/h3-10,12,16-17H,1-2H3
InChIKeyZQEVXRYIIRKUPZ-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylanilino)ethanol?
The IUPAC name of 1-(2-methyl-4-phenylanilino)ethanol (CID 139522902) is 1-(2-methyl-4-phenylanilino)ethanol.
What is the SMILES notation for 1-(2-methyl-4-phenylanilino)ethanol?
The canonical SMILES for 1-(2-methyl-4-phenylanilino)ethanol is Cc1cc(-c2ccccc2)ccc1NC(C)O.
What is the InChIKey of 1-(2-methyl-4-phenylanilino)ethanol?
The InChIKey is ZQEVXRYIIRKUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-10-14(13-6-4-3-5-7-13)8-9-15(11)16-12(2)17/h3-10,12,16-17H,1-2H3.
What are the key properties of 1-(2-methyl-4-phenylanilino)ethanol?
1-(2-methyl-4-phenylanilino)ethanol has a molecular weight of 227.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylanilino)ethanol is sourced from PubChem (CID 139522902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).