5-amino-2-(N-methylanilino)benzonitrile

C14H13N3 — CID 61285979

IUPAC5-amino-2-(N-methylanilino)benzonitrile
SMILESCN(c1ccccc1)c1ccc(N)cc1C#N
InChIInChI=1S/C14H13N3/c1-17(13-5-3-2-4-6-13)14-8-7-12(16)9-11(14)10-15/h2-9H,16H2,1H3
InChIKeyHPXVEAVYTIIUPF-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.91
Rot. Bonds2

About 5-amino-2-(N-methylanilino)benzonitrile

5-amino-2-(N-methylanilino)benzonitrile (PubChem CID 61285979) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-2-(N-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(N-methylanilino)benzonitrile
PubChem CID61285979
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-amino-2-(N-methylanilino)benzonitrile
SMILESCN(c1ccccc1)c1ccc(N)cc1C#N
InChIInChI=1S/C14H13N3/c1-17(13-5-3-2-4-6-13)14-8-7-12(16)9-11(14)10-15/h2-9H,16H2,1H3
InChIKeyHPXVEAVYTIIUPF-UHFFFAOYSA-N
XLogP2.91
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(N-methylanilino)benzonitrile?
The IUPAC name of 5-amino-2-(N-methylanilino)benzonitrile (CID 61285979) is 5-amino-2-(N-methylanilino)benzonitrile.
What is the SMILES notation for 5-amino-2-(N-methylanilino)benzonitrile?
The canonical SMILES for 5-amino-2-(N-methylanilino)benzonitrile is CN(c1ccccc1)c1ccc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(N-methylanilino)benzonitrile?
The InChIKey is HPXVEAVYTIIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(13-5-3-2-4-6-13)14-8-7-12(16)9-11(14)10-15/h2-9H,16H2,1H3.
What are the key properties of 5-amino-2-(N-methylanilino)benzonitrile?
5-amino-2-(N-methylanilino)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(N-methylanilino)benzonitrile is sourced from PubChem (CID 61285979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).