N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline

C21H21N — CID 67257070

IUPACN-[(2,3-dimethylphenyl)methyl]-N-phenylaniline
SMILESCc1cccc(CN(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C21H21N/c1-17-10-9-11-19(18(17)2)16-22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-15H,16H2,1-2H3
InChIKeyDXEZDWFQFINCOC-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.64
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline

N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline (PubChem CID 67257070) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-N-phenylaniline
PubChem CID67257070
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-N-phenylaniline
SMILESCc1cccc(CN(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C21H21N/c1-17-10-9-11-19(18(17)2)16-22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-15H,16H2,1-2H3
InChIKeyDXEZDWFQFINCOC-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline (CID 67257070) is N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline is Cc1cccc(CN(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline?
The InChIKey is DXEZDWFQFINCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-17-10-9-11-19(18(17)2)16-22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-15H,16H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline?
N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline is sourced from PubChem (CID 67257070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).