2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile

C18H20N2 — CID 107803442

IUPAC2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
SMILESCc1cc(C)c(CNc2cccc(C)c2C#N)cc1C
InChIInChI=1S/C18H20N2/c1-12-6-5-7-18(17(12)10-19)20-11-16-9-14(3)13(2)8-15(16)4/h5-9,20H,11H2,1-4H3
InChIKeyWDXKALKIEVRCQN-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.40
Rot. Bonds3

About 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile

2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile (PubChem CID 107803442) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
PubChem CID107803442
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
SMILESCc1cc(C)c(CNc2cccc(C)c2C#N)cc1C
InChIInChI=1S/C18H20N2/c1-12-6-5-7-18(17(12)10-19)20-11-16-9-14(3)13(2)8-15(16)4/h5-9,20H,11H2,1-4H3
InChIKeyWDXKALKIEVRCQN-UHFFFAOYSA-N
XLogP4.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107802963
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
2-[(3,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803407
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107803576
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carbonitrile
CID 107803270
2-[(1-ethylpyrrol-3-yl)methylamino]-6-methylbenzonitrile
CID 107803182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile?
The IUPAC name of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile (CID 107803442) is 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile is Cc1cc(C)c(CNc2cccc(C)c2C#N)cc1C.
What is the InChIKey of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile?
The InChIKey is WDXKALKIEVRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-6-5-7-18(17(12)10-19)20-11-16-9-14(3)13(2)8-15(16)4/h5-9,20H,11H2,1-4H3.
What are the key properties of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile?
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 107803442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).