N,N-bis(2-methylphenyl)ethanimidamide

C16H18N2 — CID 53437204

IUPACN,N-bis(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\C)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H18N2/c1-12-8-4-6-10-15(12)18(14(3)17)16-11-7-5-9-13(16)2/h4-11,17H,1-3H3/b17-14+
InChIKeyYIIMIVDJDNWXJC-SAPNQHFASA-N
MW238.33 g/mol
LogP4.44
Rot. Bonds2

About N,N-bis(2-methylphenyl)ethanimidamide

N,N-bis(2-methylphenyl)ethanimidamide (PubChem CID 53437204) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-bis(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN,N-bis(2-methylphenyl)ethanimidamide
PubChem CID53437204
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN,N-bis(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\C)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H18N2/c1-12-8-4-6-10-15(12)18(14(3)17)16-11-7-5-9-13(16)2/h4-11,17H,1-3H3/b17-14+
InChIKeyYIIMIVDJDNWXJC-SAPNQHFASA-N
XLogP4.44
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(2-methylphenyl)urea
CID 3049256
2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol
CID 143289913
2-methyl-N-prop-1-en-2-yl-N-(4-prop-1-en-2-ylphenyl)aniline
CID 143656363
N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide
CID 53437439
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2,6-dimethylbenzenecarboximidamide
CID 5047790
N-ethenyl-N-methylethanimidamide;toluene
CID 142995376
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
N-benzyl-N-(2-fluorophenyl)ethanimidamide
CID 155027785
1-(2-adamantyl)-1-(2-methylphenyl)guanidine
CID 21477373

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylphenyl)ethanimidamide?
The IUPAC name of N,N-bis(2-methylphenyl)ethanimidamide (CID 53437204) is N,N-bis(2-methylphenyl)ethanimidamide.
What is the SMILES notation for N,N-bis(2-methylphenyl)ethanimidamide?
The canonical SMILES for N,N-bis(2-methylphenyl)ethanimidamide is [H]/N=C(\C)N(c1ccccc1C)c1ccccc1C.
What is the InChIKey of N,N-bis(2-methylphenyl)ethanimidamide?
The InChIKey is YIIMIVDJDNWXJC-SAPNQHFASA-N. The full InChI is InChI=1S/C16H18N2/c1-12-8-4-6-10-15(12)18(14(3)17)16-11-7-5-9-13(16)2/h4-11,17H,1-3H3/b17-14+.
What are the key properties of N,N-bis(2-methylphenyl)ethanimidamide?
N,N-bis(2-methylphenyl)ethanimidamide has a molecular weight of 238.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 53437204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).