3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide

C11H16ClN3O2 — CID 103292702

IUPAC3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
SMILESCOc1cccc(Cl)c1CNCC/C(N)=N/O
InChIInChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-9(12)8(10)7-14-6-5-11(13)15-16/h2-4,14,16H,5-7H2,1H3,(H2,13,15)
InChIKeyDCOOKAQLKZEIRZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.57
Rot. Bonds6

About 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide

3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide (PubChem CID 103292702) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
PubChem CID103292702
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
SMILESCOc1cccc(Cl)c1CNCC/C(N)=N/O
InChIInChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-9(12)8(10)7-14-6-5-11(13)15-16/h2-4,14,16H,5-7H2,1H3,(H2,13,15)
InChIKeyDCOOKAQLKZEIRZ-UHFFFAOYSA-N
XLogP1.57
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 115634762
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
CID 103292979
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide (CID 103292702) is 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide is COc1cccc(Cl)c1CNCC/C(N)=N/O.
What is the InChIKey of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide?
The InChIKey is DCOOKAQLKZEIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-9(12)8(10)7-14-6-5-11(13)15-16/h2-4,14,16H,5-7H2,1H3,(H2,13,15).
What are the key properties of 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide?
3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide has a molecular weight of 257.72 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 103292702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).