N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide

C22H23N3 — CID 90685009

IUPACN'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NN(c2ccccc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H23N3/c1-16-10-13-19(14-11-16)22(23)24-25(20-7-5-4-6-8-20)21-15-17(2)9-12-18(21)3/h4-15H,1-3H3,(H2,23,24)
InChIKeyYVOACZRSLILIIH-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.07
Rot. Bonds4

About N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide

N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide (PubChem CID 90685009) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide
PubChem CID90685009
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC NameN'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NN(c2ccccc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H23N3/c1-16-10-13-19(14-11-16)22(23)24-25(20-7-5-4-6-8-20)21-15-17(2)9-12-18(21)3/h4-15H,1-3H3,(H2,23,24)
InChIKeyYVOACZRSLILIIH-UHFFFAOYSA-N
XLogP5.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
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'}

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Related Compounds

2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 91118877
[[amino(phenyl)methylidene]amino] 2,5-dimethylbenzoate
CID 2952842
1-amino-1-(2,5-dimethylphenyl)thiourea
CID 20847893
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
CID 81277641
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
CID 102327336
2,5-dimethyl-N-[4-[(1E)-8-phenylocta-1,3,5,7-tetraenyl]phenyl]-N-[4-(8-phenylocta-1,3,5,7-tetraenyl)phenyl]aniline
CID 123769354
4-methyl-N'-naphthalen-2-ylbenzenecarboximidamide
CID 12647669
1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189

Frequently Asked Questions

What is the IUPAC name of N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide?
The IUPAC name of N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide (CID 90685009) is N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NN(c2ccccc2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide?
The InChIKey is YVOACZRSLILIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-16-10-13-19(14-11-16)22(23)24-25(20-7-5-4-6-8-20)21-15-17(2)9-12-18(21)3/h4-15H,1-3H3,(H2,23,24).
What are the key properties of N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide?
N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide has a molecular weight of 329.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-(2,5-dimethylphenyl)anilino)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 90685009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).