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

C17H25NO2 — CID 63914242

IUPAC1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
SMILESCCNC(COc1cccc2c1OC(C)(C)C2)C1CC1
InChIInChI=1S/C17H25NO2/c1-4-18-14(12-8-9-12)11-19-15-7-5-6-13-10-17(2,3)20-16(13)15/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyTUFTXIXOSBDQJU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds6

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

1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine (PubChem CID 63914242) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
PubChem CID63914242
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
SMILESCCNC(COc1cccc2c1OC(C)(C)C2)C1CC1
InChIInChI=1S/C17H25NO2/c1-4-18-14(12-8-9-12)11-19-15-7-5-6-13-10-17(2,3)20-16(13)15/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyTUFTXIXOSBDQJU-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748413
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]butane-1-sulfonyl chloride
CID 64999700
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine (CID 63914242) is 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine is CCNC(COc1cccc2c1OC(C)(C)C2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine?
The InChIKey is TUFTXIXOSBDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-18-14(12-8-9-12)11-19-15-7-5-6-13-10-17(2,3)20-16(13)15/h5-7,12,14,18H,4,8-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine?
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine is sourced from PubChem (CID 63914242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).