N-methyl-2,6-diphenylaniline

C19H17N — CID 123873033

IUPACN-methyl-2,6-diphenylaniline
SMILESCNc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H17N/c1-20-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14,20H,1H3
InChIKeyKYTBPFNZMGOCJL-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.06
Rot. Bonds3

About N-methyl-2,6-diphenylaniline

N-methyl-2,6-diphenylaniline (PubChem CID 123873033) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-2,6-diphenylaniline.

Molecular Properties

Compound NameN-methyl-2,6-diphenylaniline
PubChem CID123873033
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2,6-diphenylaniline
SMILESCNc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H17N/c1-20-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14,20H,1H3
InChIKeyKYTBPFNZMGOCJL-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,6-diphenylaniline?
The IUPAC name of N-methyl-2,6-diphenylaniline (CID 123873033) is N-methyl-2,6-diphenylaniline.
What is the SMILES notation for N-methyl-2,6-diphenylaniline?
The canonical SMILES for N-methyl-2,6-diphenylaniline is CNc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of N-methyl-2,6-diphenylaniline?
The InChIKey is KYTBPFNZMGOCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-20-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14,20H,1H3.
What are the key properties of N-methyl-2,6-diphenylaniline?
N-methyl-2,6-diphenylaniline has a molecular weight of 259.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,6-diphenylaniline is sourced from PubChem (CID 123873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).