1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine

C18H25NO3 — CID 117488571

IUPAC1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine
SMILESCOc1c2c(c(C3(C(C)N)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C18H25NO3/c1-9-7-12-14(18(5-6-18)11(3)19)15-13(8-10(2)21-15)16(20-4)17(12)22-9/h9-11H,5-8,19H2,1-4H3
InChIKeyHNDNLLVEAFDITR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.72
Rot. Bonds3

About 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine

1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine (PubChem CID 117488571) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine
PubChem CID117488571
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine
SMILESCOc1c2c(c(C3(C(C)N)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C18H25NO3/c1-9-7-12-14(18(5-6-18)11(3)19)15-13(8-10(2)21-15)16(20-4)17(12)22-9/h9-11H,5-8,19H2,1-4H3
InChIKeyHNDNLLVEAFDITR-UHFFFAOYSA-N
XLogP2.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine (CID 117488571) is 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine is COc1c2c(c(C3(C(C)N)CC3)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine?
The InChIKey is HNDNLLVEAFDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-9-7-12-14(18(5-6-18)11(3)19)15-13(8-10(2)21-15)16(20-4)17(12)22-9/h9-11H,5-8,19H2,1-4H3.
What are the key properties of 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine?
1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine has a molecular weight of 303.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117488571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).