3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine

C17H25NO3 — CID 65444594

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)C1COCCO1
InChIInChI=1S/C17H25NO3/c1-2-18-15(17-12-19-9-10-21-17)5-3-13-4-6-16-14(11-13)7-8-20-16/h4,6,11,15,17-18H,2-3,5,7-10,12H2,1H3
InChIKeyGZZPABPPOIGIIO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine (PubChem CID 65444594) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
PubChem CID65444594
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)C1COCCO1
InChIInChI=1S/C17H25NO3/c1-2-18-15(17-12-19-9-10-21-17)5-3-13-4-6-16-14(11-13)7-8-20-16/h4,6,11,15,17-18H,2-3,5,7-10,12H2,1H3
InChIKeyGZZPABPPOIGIIO-UHFFFAOYSA-N
XLogP1.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 106692149
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
CID 79087386
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105152122
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
CID 80627138
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine (CID 65444594) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine is CCNC(CCc1ccc2c(c1)CCO2)C1COCCO1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine?
The InChIKey is GZZPABPPOIGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-18-15(17-12-19-9-10-21-17)5-3-13-4-6-16-14(11-13)7-8-20-16/h4,6,11,15,17-18H,2-3,5,7-10,12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 65444594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).