N-(benzotriazol-1-ylmethyl)-4-methylaniline

C14H14N4 — CID 677666

IUPACN-(benzotriazol-1-ylmethyl)-4-methylaniline
SMILESCc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4/c1-11-6-8-12(9-7-11)15-10-18-14-5-3-2-4-13(14)16-17-18/h2-9,15H,10H2,1H3
InChIKeyYDEQVYCDMYHIPS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-4-methylaniline

N-(benzotriazol-1-ylmethyl)-4-methylaniline (PubChem CID 677666) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-4-methylaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-4-methylaniline
PubChem CID677666
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(benzotriazol-1-ylmethyl)-4-methylaniline
SMILESCc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4/c1-11-6-8-12(9-7-11)15-10-18-14-5-3-2-4-13(14)16-17-18/h2-9,15H,10H2,1H3
InChIKeyYDEQVYCDMYHIPS-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-4-methylaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-4-methylaniline (CID 677666) is N-(benzotriazol-1-ylmethyl)-4-methylaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-4-methylaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-4-methylaniline is Cc1ccc(NCn2nnc3ccccc32)cc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-4-methylaniline?
The InChIKey is YDEQVYCDMYHIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11-6-8-12(9-7-11)15-10-18-14-5-3-2-4-13(14)16-17-18/h2-9,15H,10H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-4-methylaniline?
N-(benzotriazol-1-ylmethyl)-4-methylaniline has a molecular weight of 238.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-4-methylaniline is sourced from PubChem (CID 677666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).