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

C19H16N4 — CID 830264

IUPACN-(benzotriazol-1-ylmethyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2NCn2nnc3ccccc32)cc1
InChIInChI=1S/C19H16N4/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)20-14-23-19-13-7-6-12-18(19)21-22-23/h1-13,20H,14H2
InChIKeyMMGJACDDPHZDHZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.17
Rot. Bonds4

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

N-(benzotriazol-1-ylmethyl)-2-phenylaniline (PubChem CID 830264) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2-phenylaniline
PubChem CID830264
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-(benzotriazol-1-ylmethyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2NCn2nnc3ccccc32)cc1
InChIInChI=1S/C19H16N4/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)20-14-23-19-13-7-6-12-18(19)21-22-23/h1-13,20H,14H2
InChIKeyMMGJACDDPHZDHZ-UHFFFAOYSA-N
XLogP4.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.17
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)-2-phenylaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2-phenylaniline (CID 830264) is N-(benzotriazol-1-ylmethyl)-2-phenylaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2-phenylaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2-phenylaniline is c1ccc(-c2ccccc2NCn2nnc3ccccc32)cc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2-phenylaniline?
The InChIKey is MMGJACDDPHZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)20-14-23-19-13-7-6-12-18(19)21-22-23/h1-13,20H,14H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)-2-phenylaniline?
N-(benzotriazol-1-ylmethyl)-2-phenylaniline has a molecular weight of 300.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2-phenylaniline is sourced from PubChem (CID 830264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).