3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide

C17H18N2O2 — CID 77022763

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(OCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O2/c18-17(19-20)15-5-2-6-16(10-15)21-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10,20H,1,3-4,11H2,(H2,18,19)
InChIKeyKHTYIPOQAQVNOI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.85
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide

3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 77022763) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID77022763
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(OCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O2/c18-17(19-20)15-5-2-6-16(10-15)21-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10,20H,1,3-4,11H2,(H2,18,19)
InChIKeyKHTYIPOQAQVNOI-UHFFFAOYSA-N
XLogP2.85
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide (CID 77022763) is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(OCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is KHTYIPOQAQVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17(19-20)15-5-2-6-16(10-15)21-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10,20H,1,3-4,11H2,(H2,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77022763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).