2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile

C18H20N2 — CID 43110526

IUPAC2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
SMILESCc1cc(C)c(C(C)Nc2ccccc2C#N)cc1C
InChIInChI=1S/C18H20N2/c1-12-9-14(3)17(10-13(12)2)15(4)20-18-8-6-5-7-16(18)11-19/h5-10,15,20H,1-4H3
InChIKeyGWVOUNKJIADCGH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.66
Rot. Bonds3

About 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile

2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile (PubChem CID 43110526) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
PubChem CID43110526
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
SMILESCc1cc(C)c(C(C)Nc2ccccc2C#N)cc1C
InChIInChI=1S/C18H20N2/c1-12-9-14(3)17(10-13(12)2)15(4)20-18-8-6-5-7-16(18)11-19/h5-10,15,20H,1-4H3
InChIKeyGWVOUNKJIADCGH-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43124682
2-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-5-fluorobenzonitrile
CID 133328227
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
2-(butan-2-ylamino)benzonitrile
CID 43178639
4-acetyl-2-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]benzonitrile
CID 133456160
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]benzonitrile
CID 43178626
4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide
CID 43227022
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile?
The IUPAC name of 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile (CID 43110526) is 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile is Cc1cc(C)c(C(C)Nc2ccccc2C#N)cc1C.
What is the InChIKey of 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile?
The InChIKey is GWVOUNKJIADCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-9-14(3)17(10-13(12)2)15(4)20-18-8-6-5-7-16(18)11-19/h5-10,15,20H,1-4H3.
What are the key properties of 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile?
2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 43110526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).