3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine

C17H25NO2 — CID 79642651

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C17H25NO2/c1-4-18-13-8-9-14(10-13)19-15-7-5-6-12-11-17(2,3)20-16(12)15/h5-7,13-14,18H,4,8-11H2,1-3H3
InChIKeyJASBMFKDOXADAC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds4

About 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine (PubChem CID 79642651) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
PubChem CID79642651
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C17H25NO2/c1-4-18-13-8-9-14(10-13)19-15-7-5-6-12-11-17(2,3)20-16(12)15/h5-7,13-14,18H,4,8-11H2,1-3H3
InChIKeyJASBMFKDOXADAC-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine (CID 79642651) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine is CCNC1CCC(Oc2cccc3c2OC(C)(C)C3)C1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine?
The InChIKey is JASBMFKDOXADAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-18-13-8-9-14(10-13)19-15-7-5-6-12-11-17(2,3)20-16(12)15/h5-7,13-14,18H,4,8-11H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79642651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).