2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile

C10H13N3O — CID 102623942

IUPAC2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile
SMILESCON(C)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C10H13N3O/c1-13(14-2)9-3-4-10(12)8(7-9)5-6-11/h3-4,7H,5,12H2,1-2H3
InChIKeyQVRQRGAEYPHIJJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.33
Rot. Bonds3

About 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile

2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile (PubChem CID 102623942) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile
PubChem CID102623942
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile
SMILESCON(C)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C10H13N3O/c1-13(14-2)9-3-4-10(12)8(7-9)5-6-11/h3-4,7H,5,12H2,1-2H3
InChIKeyQVRQRGAEYPHIJJ-UHFFFAOYSA-N
XLogP1.33
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(diethylamino)toluene
CID 67364
3-[(2,5-Dimethylphenyl)amino]propanenitrile
CID 2416544
N,2-dimethyl-4-nitrobenzenamine
CID 25282
N,3-Dimethyl-4-nitroaniline
CID 14146034
1-N,2-dimethylbenzene-1,4-diamine
CID 20272719
2-(Methylamino)benzonitrile
CID 292603
1-N,1-N,2-trimethylbenzene-1,4-diamine
CID 436365
N-(4-amino-2-cyanophenyl)acetamide
CID 2774168
1-N,1-N,3-trimethylbenzene-1,4-diamine
CID 9815228
N1,3-dimethylbenzene-1,4-diamine
CID 20248640
N1,3-dimethylbenzene-1,4-diamine dihydrochloride
CID 20444655
2-[2-(Dimethylamino)phenyl]acetonitrile
CID 54537491

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile (CID 102623942) is 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile is CON(C)c1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile?
The InChIKey is QVRQRGAEYPHIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(14-2)9-3-4-10(12)8(7-9)5-6-11/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile?
2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102623942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).