2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide

C18H20N2O — CID 61398694

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O/c19-18(20)17-8-4-3-7-15(17)12-21-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-11H,1-2,5-6,12H2,(H3,19,20)
InChIKeyGSXZZLHWFNUOBH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.43
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide

2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide (PubChem CID 61398694) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
PubChem CID61398694
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O/c19-18(20)17-8-4-3-7-15(17)12-21-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-11H,1-2,5-6,12H2,(H3,19,20)
InChIKeyGSXZZLHWFNUOBH-UHFFFAOYSA-N
XLogP3.43
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
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

2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene
CID 130316858
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
CID 63525016
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide (CID 61398694) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide?
The InChIKey is GSXZZLHWFNUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(20)17-8-4-3-7-15(17)12-21-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-11H,1-2,5-6,12H2,(H3,19,20).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide has a molecular weight of 280.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 61398694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).