3-(2-methylanilino)benzenecarboximidamide

C14H15N3 — CID 173292322

IUPAC3-(2-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Nc2ccccc2C)c1
InChIInChI=1S/C14H15N3/c1-10-5-2-3-8-13(10)17-12-7-4-6-11(9-12)14(15)16/h2-9,17H,1H3,(H3,15,16)
InChIKeyICJQORNUYZIXCZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-methylanilino)benzenecarboximidamide

3-(2-methylanilino)benzenecarboximidamide (PubChem CID 173292322) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-(2-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2-methylanilino)benzenecarboximidamide
PubChem CID173292322
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-(2-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Nc2ccccc2C)c1
InChIInChI=1S/C14H15N3/c1-10-5-2-3-8-13(10)17-12-7-4-6-11(9-12)14(15)16/h2-9,17H,1H3,(H3,15,16)
InChIKeyICJQORNUYZIXCZ-UHFFFAOYSA-N
XLogP3.02
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)benzenecarboximidamide?
The IUPAC name of 3-(2-methylanilino)benzenecarboximidamide (CID 173292322) is 3-(2-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 3-(2-methylanilino)benzenecarboximidamide?
The canonical SMILES for 3-(2-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(Nc2ccccc2C)c1.
What is the InChIKey of 3-(2-methylanilino)benzenecarboximidamide?
The InChIKey is ICJQORNUYZIXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-5-2-3-8-13(10)17-12-7-4-6-11(9-12)14(15)16/h2-9,17H,1H3,(H3,15,16).
What are the key properties of 3-(2-methylanilino)benzenecarboximidamide?
3-(2-methylanilino)benzenecarboximidamide has a molecular weight of 225.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 173292322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).