N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide

C12H19N3O2 — CID 77026376

IUPACN'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
SMILESCOCc1ccccc1CNC(C)C(N)=NO
InChIInChI=1S/C12H19N3O2/c1-9(12(13)15-16)14-7-10-5-3-4-6-11(10)8-17-2/h3-6,9,14,16H,7-8H2,1-2H3,(H2,13,15)
InChIKeyMWKFLHLWWXFJIL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.06
Rot. Bonds6

About N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide

N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide (PubChem CID 77026376) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
PubChem CID77026376
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
SMILESCOCc1ccccc1CNC(C)C(N)=NO
InChIInChI=1S/C12H19N3O2/c1-9(12(13)15-16)14-7-10-5-3-4-6-11(10)8-17-2/h3-6,9,14,16H,7-8H2,1-2H3,(H2,13,15)
InChIKeyMWKFLHLWWXFJIL-UHFFFAOYSA-N
XLogP1.06
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.06
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-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025752
1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 62359144
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
CID 82739404
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide (CID 77026376) is N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide is COCc1ccccc1CNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide?
The InChIKey is MWKFLHLWWXFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(12(13)15-16)14-7-10-5-3-4-6-11(10)8-17-2/h3-6,9,14,16H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide?
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide has a molecular weight of 237.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide is sourced from PubChem (CID 77026376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).