N-benzyl-2-ethoxyaniline

C15H17NO — CID 563482

IUPACN-benzyl-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1ccccc1
InChIInChI=1S/C15H17NO/c1-2-17-15-11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKeyVCFBFZSSLLVLIS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-2-ethoxyaniline

N-benzyl-2-ethoxyaniline (PubChem CID 563482) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-2-ethoxyaniline.

Molecular Properties

Compound NameN-benzyl-2-ethoxyaniline
PubChem CID563482
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1ccccc1
InChIInChI=1S/C15H17NO/c1-2-17-15-11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKeyVCFBFZSSLLVLIS-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethoxyaniline?
The IUPAC name of N-benzyl-2-ethoxyaniline (CID 563482) is N-benzyl-2-ethoxyaniline.
What is the SMILES notation for N-benzyl-2-ethoxyaniline?
The canonical SMILES for N-benzyl-2-ethoxyaniline is CCOc1ccccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-ethoxyaniline?
The InChIKey is VCFBFZSSLLVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-17-15-11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3.
What are the key properties of N-benzyl-2-ethoxyaniline?
N-benzyl-2-ethoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethoxyaniline is sourced from PubChem (CID 563482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).