2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide

C15H18N4 — CID 142127836

IUPAC2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NCc1ccccc1N)c1ccccc1N
InChIInChI=1S/C15H18N4/c1-18-15(12-7-3-5-9-14(12)17)19-10-11-6-2-4-8-13(11)16/h2-9H,10,16-17H2,1H3,(H,18,19)
InChIKeyCTIOSLLYDRFZPR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide

2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide (PubChem CID 142127836) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide
PubChem CID142127836
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NCc1ccccc1N)c1ccccc1N
InChIInChI=1S/C15H18N4/c1-18-15(12-7-3-5-9-14(12)17)19-10-11-6-2-4-8-13(11)16/h2-9H,10,16-17H2,1H3,(H,18,19)
InChIKeyCTIOSLLYDRFZPR-UHFFFAOYSA-N
XLogP2.02
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminophenyl)methyl]-N'-methylbenzenecarboximidamide 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'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide
CID 142127726
2-amino-N-[(2-hydroxyphenyl)methyl]-N'-methylbenzenecarboximidamide;2,4-difluoro-6-propylaniline;ethane
CID 142126217
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
2-(hydrazinylmethyl)aniline
CID 126609519
2-amino-N-[4-[5-chloro-2-(methoxymethyl)phenyl]but-3-ynyl]-N'-methylbenzenecarboximidamide
CID 88989099
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide (CID 142127836) is 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide is C/N=C(\NCc1ccccc1N)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide?
The InChIKey is CTIOSLLYDRFZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-15(12-7-3-5-9-14(12)17)19-10-11-6-2-4-8-13(11)16/h2-9H,10,16-17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide?
2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide has a molecular weight of 254.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 142127836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).