2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide

C16H19N3 — CID 143686503

IUPAC2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
SMILESCCc1ccc(-c2ccccc2/C(N)=N/NC)cc1
InChIInChI=1S/C16H19N3/c1-3-12-8-10-13(11-9-12)14-6-4-5-7-15(14)16(17)19-18-2/h4-11,18H,3H2,1-2H3,(H2,17,19)
InChIKeyBHGSDVLXMMXCEG-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide

2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide (PubChem CID 143686503) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
PubChem CID143686503
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
SMILESCCc1ccc(-c2ccccc2/C(N)=N/NC)cc1
InChIInChI=1S/C16H19N3/c1-3-12-8-10-13(11-9-12)14-6-4-5-7-15(14)16(17)19-18-2/h4-11,18H,3H2,1-2H3,(H2,17,19)
InChIKeyBHGSDVLXMMXCEG-UHFFFAOYSA-N
XLogP2.76
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-N'-(methylamino)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

N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
CID 54093932
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1,2-dihydroimidazol-3-yl]methyl]phenyl]-N'-hydrazinylbenzenecarboximidamide
CID 170149855
1-ethyl-4-(2-nitrosophenyl)benzene
CID 87431486
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
CID 24704653
2-[[4-[2-(N'-hydrazinylcarbamimidoyl)phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoic acid
CID 123607344
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
CID 18771509
N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide
CID 142875261
2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide
CID 141354454

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide?
The IUPAC name of 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide (CID 143686503) is 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide is CCc1ccc(-c2ccccc2/C(N)=N/NC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide?
The InChIKey is BHGSDVLXMMXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-12-8-10-13(11-9-12)14-6-4-5-7-15(14)16(17)19-18-2/h4-11,18H,3H2,1-2H3,(H2,17,19).
What are the key properties of 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide?
2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide has a molecular weight of 253.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 143686503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).