N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide

C10H15N3O2 — CID 77030951

IUPACN'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
SMILESCOc1ccc(NCC(N)=NO)cc1C
InChIInChI=1S/C10H15N3O2/c1-7-5-8(3-4-9(7)15-2)12-6-10(11)13-14/h3-5,12,14H,6H2,1-2H3,(H2,11,13)
InChIKeyPIYAQHUTVMTWBJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.16
Rot. Bonds4

About N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide

N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide (PubChem CID 77030951) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
PubChem CID77030951
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
SMILESCOc1ccc(NCC(N)=NO)cc1C
InChIInChI=1S/C10H15N3O2/c1-7-5-8(3-4-9(7)15-2)12-6-10(11)13-14/h3-5,12,14H,6H2,1-2H3,(H2,11,13)
InChIKeyPIYAQHUTVMTWBJ-UHFFFAOYSA-N
XLogP1.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxy-3-methylanilino)methyl]propanimidamide
CID 103369786
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
4-[(4-methoxy-3-methylanilino)methyl]benzene-1,2,3-triol
CID 103952978
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131601
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide (CID 77030951) is N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide is COc1ccc(NCC(N)=NO)cc1C.
What is the InChIKey of N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide?
The InChIKey is PIYAQHUTVMTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-8(3-4-9(7)15-2)12-6-10(11)13-14/h3-5,12,14H,6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide?
N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide has a molecular weight of 209.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide is sourced from PubChem (CID 77030951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).