6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

C18H27NO2 — CID 64739360

IUPAC6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC3CCC(C)C(C)C3)ccc21
InChIInChI=1S/C18H27NO2/c1-4-19-17-11-20-18-10-15(7-8-16(17)18)21-14-6-5-12(2)13(3)9-14/h7-8,10,12-14,17,19H,4-6,9,11H2,1-3H3
InChIKeyWIZXIPXANQTZBQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.93
Rot. Bonds4

About 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64739360) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64739360
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC3CCC(C)C(C)C3)ccc21
InChIInChI=1S/C18H27NO2/c1-4-19-17-11-20-18-10-15(7-8-16(17)18)21-14-6-5-12(2)13(3)9-14/h7-8,10,12-14,17,19H,4-6,9,11H2,1-3H3
InChIKeyWIZXIPXANQTZBQ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 64739360) is 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OC3CCC(C)C(C)C3)ccc21.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WIZXIPXANQTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19-17-11-20-18-10-15(7-8-16(17)18)21-14-6-5-12(2)13(3)9-14/h7-8,10,12-14,17,19H,4-6,9,11H2,1-3H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64739360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).