N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide

C14H17N5O — CID 142467985

IUPACN'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
SMILESCOc1ccc(Nc2ccccc2/C(N)=N/NN)cc1
InChIInChI=1S/C14H17N5O/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)18-19-16/h2-9,17,19H,16H2,1H3,(H2,15,18)
InChIKeyZXAMQMXTJOXQFL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds5

About N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide

N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide (PubChem CID 142467985) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
PubChem CID142467985
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
SMILESCOc1ccc(Nc2ccccc2/C(N)=N/NN)cc1
InChIInChI=1S/C14H17N5O/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)18-19-16/h2-9,17,19H,16H2,1H3,(H2,15,18)
InChIKeyZXAMQMXTJOXQFL-UHFFFAOYSA-N
XLogP1.52
TPSA97.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
N-(4-methoxyphenyl)-2-nitrosoaniline
CID 154665125
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625

Frequently Asked Questions

What is the IUPAC name of N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide?
The IUPAC name of N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide (CID 142467985) is N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide.
What is the SMILES notation for N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide?
The canonical SMILES for N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide is COc1ccc(Nc2ccccc2/C(N)=N/NN)cc1.
What is the InChIKey of N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide?
The InChIKey is ZXAMQMXTJOXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(15)18-19-16/h2-9,17,19H,16H2,1H3,(H2,15,18).
What are the key properties of N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide?
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide is sourced from PubChem (CID 142467985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).