4-(benzotriazol-2-yl)-2,3-dimethylaniline

C14H14N4 — CID 830518

IUPAC4-(benzotriazol-2-yl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(-n2nc3ccccc3n2)c1C
InChIInChI=1S/C14H14N4/c1-9-10(2)14(8-7-11(9)15)18-16-12-5-3-4-6-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyGHWYFEGTRAZLIJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.62
Rot. Bonds1

About 4-(benzotriazol-2-yl)-2,3-dimethylaniline

4-(benzotriazol-2-yl)-2,3-dimethylaniline (PubChem CID 830518) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-2,3-dimethylaniline.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-2,3-dimethylaniline
PubChem CID830518
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(benzotriazol-2-yl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(-n2nc3ccccc3n2)c1C
InChIInChI=1S/C14H14N4/c1-9-10(2)14(8-7-11(9)15)18-16-12-5-3-4-6-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyGHWYFEGTRAZLIJ-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-2,3-dimethylaniline?
The IUPAC name of 4-(benzotriazol-2-yl)-2,3-dimethylaniline (CID 830518) is 4-(benzotriazol-2-yl)-2,3-dimethylaniline.
What is the SMILES notation for 4-(benzotriazol-2-yl)-2,3-dimethylaniline?
The canonical SMILES for 4-(benzotriazol-2-yl)-2,3-dimethylaniline is Cc1c(N)ccc(-n2nc3ccccc3n2)c1C.
What is the InChIKey of 4-(benzotriazol-2-yl)-2,3-dimethylaniline?
The InChIKey is GHWYFEGTRAZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-10(2)14(8-7-11(9)15)18-16-12-5-3-4-6-13(12)17-18/h3-8H,15H2,1-2H3.
What are the key properties of 4-(benzotriazol-2-yl)-2,3-dimethylaniline?
4-(benzotriazol-2-yl)-2,3-dimethylaniline has a molecular weight of 238.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-2,3-dimethylaniline is sourced from PubChem (CID 830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).