4-amino-2-methoxy-5-methylbenzonitrile

C9H10N2O — CID 23068192

IUPAC4-amino-2-methoxy-5-methylbenzonitrile
SMILESCOc1cc(N)c(C)cc1C#N
InChIInChI=1S/C9H10N2O/c1-6-3-7(5-10)9(12-2)4-8(6)11/h3-4H,11H2,1-2H3
InChIKeySDUNABLKHUBDPC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.46
Rot. Bonds1

About 4-amino-2-methoxy-5-methylbenzonitrile

4-amino-2-methoxy-5-methylbenzonitrile (PubChem CID 23068192) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-amino-2-methoxy-5-methylbenzonitrile.

Molecular Properties

Compound Name4-amino-2-methoxy-5-methylbenzonitrile
PubChem CID23068192
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-amino-2-methoxy-5-methylbenzonitrile
SMILESCOc1cc(N)c(C)cc1C#N
InChIInChI=1S/C9H10N2O/c1-6-3-7(5-10)9(12-2)4-8(6)11/h3-4H,11H2,1-2H3
InChIKeySDUNABLKHUBDPC-UHFFFAOYSA-N
XLogP1.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
5-amino-2-bromo-4-methoxybenzonitrile
CID 131504972
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
2,4-diamino-5-methoxybenzonitrile
CID 171011985
2-amino-5-iodo-4-methoxybenzonitrile
CID 163342952
5-(aminomethyl)-4-bromo-2-methoxybenzonitrile
CID 171014235
2-methoxy-5-methyl-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560285
2-amino-4-chloro-5-methoxybenzonitrile
CID 130139412
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-5-methylbenzonitrile?
The IUPAC name of 4-amino-2-methoxy-5-methylbenzonitrile (CID 23068192) is 4-amino-2-methoxy-5-methylbenzonitrile.
What is the SMILES notation for 4-amino-2-methoxy-5-methylbenzonitrile?
The canonical SMILES for 4-amino-2-methoxy-5-methylbenzonitrile is COc1cc(N)c(C)cc1C#N.
What is the InChIKey of 4-amino-2-methoxy-5-methylbenzonitrile?
The InChIKey is SDUNABLKHUBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-3-7(5-10)9(12-2)4-8(6)11/h3-4H,11H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-5-methylbenzonitrile?
4-amino-2-methoxy-5-methylbenzonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-5-methylbenzonitrile is sourced from PubChem (CID 23068192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).