6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine

C17H25NO2 — CID 79374892

IUPAC6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OC1CCCC(C)C1)C2
InChIInChI=1S/C17H25NO2/c1-11-4-3-5-14(8-11)20-16-9-12-6-7-13(19-2)10-15(12)17(16)18/h6-7,10-11,14,16-17H,3-5,8-9,18H2,1-2H3
InChIKeyKHSLASDWWSHMGJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds3

About 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79374892) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79374892
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OC1CCCC(C)C1)C2
InChIInChI=1S/C17H25NO2/c1-11-4-3-5-14(8-11)20-16-9-12-6-7-13(19-2)10-15(12)17(16)18/h6-7,10-11,14,16-17H,3-5,8-9,18H2,1-2H3
InChIKeyKHSLASDWWSHMGJ-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine (CID 79374892) is 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(OC1CCCC(C)C1)C2.
What is the InChIKey of 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KHSLASDWWSHMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-4-3-5-14(8-11)20-16-9-12-6-7-13(19-2)10-15(12)17(16)18/h6-7,10-11,14,16-17H,3-5,8-9,18H2,1-2H3.
What are the key properties of 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79374892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).