2-(5-amino-2-methylphenoxy)acetonitrile

C9H10N2O — CID 43520229

IUPAC2-(5-amino-2-methylphenoxy)acetonitrile
SMILESCc1ccc(N)cc1OCC#N
InChIInChI=1S/C9H10N2O/c1-7-2-3-8(11)6-9(7)12-5-4-10/h2-3,6H,5,11H2,1H3
InChIKeyAHUCTMYDMPWTNE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-amino-2-methylphenoxy)acetonitrile

2-(5-amino-2-methylphenoxy)acetonitrile (PubChem CID 43520229) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)acetonitrile
PubChem CID43520229
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(5-amino-2-methylphenoxy)acetonitrile
SMILESCc1ccc(N)cc1OCC#N
InChIInChI=1S/C9H10N2O/c1-7-2-3-8(11)6-9(7)12-5-4-10/h2-3,6H,5,11H2,1H3
InChIKeyAHUCTMYDMPWTNE-UHFFFAOYSA-N
XLogP1.48
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-methylphenoxy)acetonitrile 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

2-(5-iodo-2-methylphenoxy)acetonitrile
CID 130741781
5-amino-2-(cyanomethoxy)benzonitrile
CID 61269952
3-(methoxymethoxy)-4-methylaniline
CID 65365143
4-amino-2-(cyanomethoxy)benzoic acid
CID 106954874
3-(cyanomethoxy)-4-methylbenzoic acid
CID 60702565
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
3-hexadecoxy-4-methylaniline
CID 57081496
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)acetonitrile?
The IUPAC name of 2-(5-amino-2-methylphenoxy)acetonitrile (CID 43520229) is 2-(5-amino-2-methylphenoxy)acetonitrile.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)acetonitrile?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)acetonitrile is Cc1ccc(N)cc1OCC#N.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)acetonitrile?
The InChIKey is AHUCTMYDMPWTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-2-3-8(11)6-9(7)12-5-4-10/h2-3,6H,5,11H2,1H3.
What are the key properties of 2-(5-amino-2-methylphenoxy)acetonitrile?
2-(5-amino-2-methylphenoxy)acetonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenoxy)acetonitrile is sourced from PubChem (CID 43520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).