ethane;3-methoxy-4-(methylamino)benzonitrile

C11H16N2O — CID 176701430

IUPACethane;3-methoxy-4-(methylamino)benzonitrile
SMILESCC.CNc1ccc(C#N)cc1OC
InChIInChI=1S/C9H10N2O.C2H6/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyWEXDMUTXJHWYCP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.63
Rot. Bonds2

About ethane;3-methoxy-4-(methylamino)benzonitrile

ethane;3-methoxy-4-(methylamino)benzonitrile (PubChem CID 176701430) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;3-methoxy-4-(methylamino)benzonitrile.

Molecular Properties

Compound Nameethane;3-methoxy-4-(methylamino)benzonitrile
PubChem CID176701430
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;3-methoxy-4-(methylamino)benzonitrile
SMILESCC.CNc1ccc(C#N)cc1OC
InChIInChI=1S/C9H10N2O.C2H6/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyWEXDMUTXJHWYCP-UHFFFAOYSA-N
XLogP2.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-methoxy-4-(methylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
3-methoxy-4-(3-methylbutan-2-ylamino)benzonitrile
CID 104848054
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
CID 114400407
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580
4-[2-(dimethylamino)ethylamino]-3-methoxybenzonitrile
CID 104848661

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-(methylamino)benzonitrile?
The IUPAC name of ethane;3-methoxy-4-(methylamino)benzonitrile (CID 176701430) is ethane;3-methoxy-4-(methylamino)benzonitrile.
What is the SMILES notation for ethane;3-methoxy-4-(methylamino)benzonitrile?
The canonical SMILES for ethane;3-methoxy-4-(methylamino)benzonitrile is CC.CNc1ccc(C#N)cc1OC.
What is the InChIKey of ethane;3-methoxy-4-(methylamino)benzonitrile?
The InChIKey is WEXDMUTXJHWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-2/h3-5,11H,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-4-(methylamino)benzonitrile?
ethane;3-methoxy-4-(methylamino)benzonitrile has a molecular weight of 192.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-(methylamino)benzonitrile is sourced from PubChem (CID 176701430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).