3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide

C14H23N3O2 — CID 77025752

IUPAC3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCOCc1ccccc1CNCC(C)C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-3-19-10-13-7-5-4-6-12(13)9-16-8-11(2)14(15)17-18/h4-7,11,16,18H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyFBTIYULHLJIFNH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.70
Rot. Bonds8

About 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77025752) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77025752
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCOCc1ccccc1CNCC(C)C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-3-19-10-13-7-5-4-6-12(13)9-16-8-11(2)14(15)17-18/h4-7,11,16,18H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyFBTIYULHLJIFNH-UHFFFAOYSA-N
XLogP1.70
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.70
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-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77052059
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062012
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
CID 77026376
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367080
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77025752) is 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide is CCOCc1ccccc1CNCC(C)C(N)=NO.
What is the InChIKey of 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FBTIYULHLJIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-10-13-7-5-4-6-12(13)9-16-8-11(2)14(15)17-18/h4-7,11,16,18H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).