4-(4-methoxyanilino)-3-methylbenzenecarboximidamide

C15H17N3O — CID 123739747

IUPAC4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-9-11(15(16)17)3-8-14(10)18-12-4-6-13(19-2)7-5-12/h3-9,18H,1-2H3,(H3,16,17)
InChIKeyBRGCYJNQYZJOLF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide

4-(4-methoxyanilino)-3-methylbenzenecarboximidamide (PubChem CID 123739747) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
PubChem CID123739747
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C15H17N3O/c1-10-9-11(15(16)17)3-8-14(10)18-12-4-6-13(19-2)7-5-12/h3-9,18H,1-2H3,(H3,16,17)
InChIKeyBRGCYJNQYZJOLF-UHFFFAOYSA-N
XLogP3.03
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

6-methoxynaphthalene-2-carboximidamide
CID 3274917
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
CID 82240745
4-(2-methoxyprop-2-enylamino)-3-methylbenzenecarboximidamide
CID 21341373
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
3,4-dianilinobenzenecarboximidamide
CID 142296312
4-hydrazinyl-N-(4-methoxyphenyl)-3-methylbenzamide
CID 63211736
3-(2-methylanilino)benzenecarboximidamide
CID 173292322
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
CID 138961462
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide (CID 123739747) is 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide?
The InChIKey is BRGCYJNQYZJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-9-11(15(16)17)3-8-14(10)18-12-4-6-13(19-2)7-5-12/h3-9,18H,1-2H3,(H3,16,17).
What are the key properties of 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide?
4-(4-methoxyanilino)-3-methylbenzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 123739747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).