2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline

C22H23N — CID 14359910

IUPAC2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline
SMILESCc1ccccc1C(Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C22H23N/c1-16-10-7-8-15-20(16)22(19-13-5-4-6-14-19)23-21-17(2)11-9-12-18(21)3/h4-15,22-23H,1-3H3
InChIKeyVDKQJRQZMKFJJT-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.81
Rot. Bonds4

About 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline

2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline (PubChem CID 14359910) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline
PubChem CID14359910
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline
SMILESCc1ccccc1C(Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C22H23N/c1-16-10-7-8-15-20(16)22(19-13-5-4-6-14-19)23-21-17(2)11-9-12-18(21)3/h4-15,22-23H,1-3H3
InChIKeyVDKQJRQZMKFJJT-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline (CID 14359910) is 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline is Cc1ccccc1C(Nc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline?
The InChIKey is VDKQJRQZMKFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-16-10-7-8-15-20(16)22(19-13-5-4-6-14-19)23-21-17(2)11-9-12-18(21)3/h4-15,22-23H,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline?
2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline has a molecular weight of 301.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2-methylphenyl)-phenylmethyl]aniline is sourced from PubChem (CID 14359910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).