2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline

C21H21N — CID 139772462

IUPAC2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2cccc(C)c2C)c1
InChIInChI=1S/C21H21N/c1-16-9-7-13-20(15-16)22(19-11-5-4-6-12-19)21-14-8-10-17(2)18(21)3/h4-15H,1-3H3
InChIKeyRSSWIFUXLLBQAK-UHFFFAOYSA-N
MW287.41 g/mol
LogP6.08
Rot. Bonds3

About 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline

2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline (PubChem CID 139772462) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
PubChem CID139772462
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2cccc(C)c2C)c1
InChIInChI=1S/C21H21N/c1-16-9-7-13-20(15-16)22(19-11-5-4-6-12-19)21-14-8-10-17(2)18(21)3/h4-15H,1-3H3
InChIKeyRSSWIFUXLLBQAK-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The IUPAC name of 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline (CID 139772462) is 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2cccc(C)c2C)c1.
What is the InChIKey of 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The InChIKey is RSSWIFUXLLBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-9-7-13-20(15-16)22(19-11-5-4-6-12-19)21-14-8-10-17(2)18(21)3/h4-15H,1-3H3.
What are the key properties of 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 139772462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).