2-phenoxy-N'-propan-2-ylethanimidamide

C11H16N2O — CID 63181817

IUPAC2-phenoxy-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)COc1ccccc1
InChIInChI=1S/C11H16N2O/c1-9(2)13-11(12)8-14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13)
InChIKeyWNMBMONOOQCCNF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.83
Rot. Bonds4

About 2-phenoxy-N'-propan-2-ylethanimidamide

2-phenoxy-N'-propan-2-ylethanimidamide (PubChem CID 63181817) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-phenoxy-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2-phenoxy-N'-propan-2-ylethanimidamide
PubChem CID63181817
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-phenoxy-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)COc1ccccc1
InChIInChI=1S/C11H16N2O/c1-9(2)13-11(12)8-14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13)
InChIKeyWNMBMONOOQCCNF-UHFFFAOYSA-N
XLogP1.83
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;2-phenoxyacetamide
CID 175513799
N'-(3-phenoxypropyl)propanimidamide
CID 63175356
propan-2-yl 2-phenoxyacetate
CID 11367560
CID 142401703
CID 142401703
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide
CID 60523504
N'-[(2,6-dichlorophenyl)methoxy]-2-phenoxyethanimidamide
CID 51110503
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
methyl 3-[(1-amino-2-phenoxyethylidene)amino]-4-methoxybenzoate
CID 54202890
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N'-propan-2-ylethanimidamide?
The IUPAC name of 2-phenoxy-N'-propan-2-ylethanimidamide (CID 63181817) is 2-phenoxy-N'-propan-2-ylethanimidamide.
What is the SMILES notation for 2-phenoxy-N'-propan-2-ylethanimidamide?
The canonical SMILES for 2-phenoxy-N'-propan-2-ylethanimidamide is CC(C)/N=C(\N)COc1ccccc1.
What is the InChIKey of 2-phenoxy-N'-propan-2-ylethanimidamide?
The InChIKey is WNMBMONOOQCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(2)13-11(12)8-14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,13).
What are the key properties of 2-phenoxy-N'-propan-2-ylethanimidamide?
2-phenoxy-N'-propan-2-ylethanimidamide has a molecular weight of 192.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 63181817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).