5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide

C17H17ClN2O — CID 63525016

IUPAC5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17ClN2O/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,19,20)
InChIKeyGXKDPUHRGOHWIQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.30
Rot. Bonds3

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

5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide (PubChem CID 63525016) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
PubChem CID63525016
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H17ClN2O/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,19,20)
InChIKeyGXKDPUHRGOHWIQ-UHFFFAOYSA-N
XLogP4.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.30
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

4-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarbothioamide
CID 63519659
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387242
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
CID 61398694
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide (CID 63525016) is 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide?
The InChIKey is GXKDPUHRGOHWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2,(H3,19,20).
What are the key properties of 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide?
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide has a molecular weight of 300.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 63525016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).