2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide

C10H14ClN3O2 — CID 103292703

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
SMILESCOc1cccc(Cl)c1CNC/C(N)=N/O
InChIInChI=1S/C10H14ClN3O2/c1-16-9-4-2-3-8(11)7(9)5-13-6-10(12)14-15/h2-4,13,15H,5-6H2,1H3,(H2,12,14)
InChIKeyUMJXNONZEXATMG-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.18
Rot. Bonds5

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide

2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide (PubChem CID 103292703) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
PubChem CID103292703
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
SMILESCOc1cccc(Cl)c1CNC/C(N)=N/O
InChIInChI=1S/C10H14ClN3O2/c1-16-9-4-2-3-8(11)7(9)5-13-6-10(12)14-15/h2-4,13,15H,5-6H2,1H3,(H2,12,14)
InChIKeyUMJXNONZEXATMG-UHFFFAOYSA-N
XLogP1.18
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
CID 103292702
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
CID 103292979
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115676191
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide (CID 103292703) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide is COc1cccc(Cl)c1CNC/C(N)=N/O.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide?
The InChIKey is UMJXNONZEXATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-9-4-2-3-8(11)7(9)5-13-6-10(12)14-15/h2-4,13,15H,5-6H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide?
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide has a molecular weight of 243.69 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103292703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).