2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride

C14H16ClN3O — CID 82253370

IUPAC2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O.ClH/c1-18-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)16;/h2-9,17H,1H3,(H3,15,16);1H
InChIKeyFQSCUFLPYQOVTB-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride

2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride (PubChem CID 82253370) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
PubChem CID82253370
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O.ClH/c1-18-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)16;/h2-9,17H,1H3,(H3,15,16);1H
InChIKeyFQSCUFLPYQOVTB-UHFFFAOYSA-N
XLogP3.14
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.14
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

bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
CID 142467985
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
CID 123739747
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
ethyl 2-[[3-(4-methoxyanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112967449
ethyl 2-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967384
3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
CID 174903596

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride (CID 82253370) is 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1Nc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride?
The InChIKey is FQSCUFLPYQOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-18-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)16;/h2-9,17H,1H3,(H3,15,16);1H.
What are the key properties of 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride?
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).