N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline

C15H16N4O — CID 678086

IUPACN-(benzotriazol-1-ylmethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C15H16N4O/c1-2-20-15-10-6-4-8-13(15)16-11-19-14-9-5-3-7-12(14)17-18-19/h3-10,16H,2,11H2,1H3
InChIKeyCVQKWVCLJQPBIU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds5

About N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline

N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline (PubChem CID 678086) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2-ethoxyaniline
PubChem CID678086
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(benzotriazol-1-ylmethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C15H16N4O/c1-2-20-15-10-6-4-8-13(15)16-11-19-14-9-5-3-7-12(14)17-18-19/h3-10,16H,2,11H2,1H3
InChIKeyCVQKWVCLJQPBIU-UHFFFAOYSA-N
XLogP2.90
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline (CID 678086) is N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline is CCOc1ccccc1NCn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline?
The InChIKey is CVQKWVCLJQPBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-20-15-10-6-4-8-13(15)16-11-19-14-9-5-3-7-12(14)17-18-19/h3-10,16H,2,11H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline?
N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline has a molecular weight of 268.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2-ethoxyaniline is sourced from PubChem (CID 678086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).