2-(N-benzylanilino)ethanol

C15H17NO — CID 10680815

IUPAC2-(N-benzylanilino)ethanol
SMILESOCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyVMIORCIXXWGAGI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.69
Rot. Bonds5

About 2-(N-benzylanilino)ethanol

2-(N-benzylanilino)ethanol (PubChem CID 10680815) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(N-benzylanilino)ethanol.

Molecular Properties

Compound Name2-(N-benzylanilino)ethanol
PubChem CID10680815
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(N-benzylanilino)ethanol
SMILESOCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyVMIORCIXXWGAGI-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)ethanol?
The IUPAC name of 2-(N-benzylanilino)ethanol (CID 10680815) is 2-(N-benzylanilino)ethanol.
What is the SMILES notation for 2-(N-benzylanilino)ethanol?
The canonical SMILES for 2-(N-benzylanilino)ethanol is OCCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzylanilino)ethanol?
The InChIKey is VMIORCIXXWGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,17H,11-13H2.
What are the key properties of 2-(N-benzylanilino)ethanol?
2-(N-benzylanilino)ethanol has a molecular weight of 227.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)ethanol is sourced from PubChem (CID 10680815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).