2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile

C16H16N2O — CID 55056695

IUPAC2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
SMILESCOCc1ccccc1Nc1cc(C)ccc1C#N
InChIInChI=1S/C16H16N2O/c1-12-7-8-13(10-17)16(9-12)18-15-6-4-3-5-14(15)11-19-2/h3-9,18H,11H2,1-2H3
InChIKeyLNVVNRHAMRGPDE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.76
Rot. Bonds4

About 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile

2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile (PubChem CID 55056695) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
PubChem CID55056695
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
SMILESCOCc1ccccc1Nc1cc(C)ccc1C#N
InChIInChI=1S/C16H16N2O/c1-12-7-8-13(10-17)16(9-12)18-15-6-4-3-5-14(15)11-19-2/h3-9,18H,11H2,1-2H3
InChIKeyLNVVNRHAMRGPDE-UHFFFAOYSA-N
XLogP3.76
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
CID 62947985
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62308969
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507
3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
CID 112647467
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427
N-methoxy-2-(methoxymethyl)-5-methylaniline
CID 126676119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile?
The IUPAC name of 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile (CID 55056695) is 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile?
The canonical SMILES for 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile is COCc1ccccc1Nc1cc(C)ccc1C#N.
What is the InChIKey of 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile?
The InChIKey is LNVVNRHAMRGPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-7-8-13(10-17)16(9-12)18-15-6-4-3-5-14(15)11-19-2/h3-9,18H,11H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile?
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile is sourced from PubChem (CID 55056695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).