2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide

C15H17N3 — CID 101481145

IUPAC2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(C)c(/N=C(\N)c2ccccc2N)c1
InChIInChI=1S/C15H17N3/c1-10-7-8-11(2)14(9-10)18-15(17)12-5-3-4-6-13(12)16/h3-9H,16H2,1-2H3,(H2,17,18)
InChIKeySFRJACOKSIXLRF-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide

2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide (PubChem CID 101481145) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
PubChem CID101481145
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(C)c(/N=C(\N)c2ccccc2N)c1
InChIInChI=1S/C15H17N3/c1-10-7-8-11(2)14(9-10)18-15(17)12-5-3-4-6-13(12)16/h3-9H,16H2,1-2H3,(H2,17,18)
InChIKeySFRJACOKSIXLRF-UHFFFAOYSA-N
XLogP2.92
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide 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-amino-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 15889680
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178
N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
CID 63178280
N',2-diaminobenzenecarboximidamide
CID 10307874
N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine
CID 88525097
2-[(2-aminophenyl)diazenyl]-4-methylaniline
CID 118232962
2-(2-aminobenzoyl)-5-methylbenzoic acid
CID 83381345
2-methylpropyl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776164
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
N'-[2-[(2-aminophenyl)methyl]phenyl]-2-hydroxybenzenecarboximidamide;methylhydrazine
CID 142125377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide?
The IUPAC name of 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide (CID 101481145) is 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide is Cc1ccc(C)c(/N=C(\N)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide?
The InChIKey is SFRJACOKSIXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-7-8-11(2)14(9-10)18-15(17)12-5-3-4-6-13(12)16/h3-9H,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide?
2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 101481145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).