3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine

C18H23NO2 — CID 115864534

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1ccc(C)o1
InChIInChI=1S/C18H23NO2/c1-3-19-16(18-8-4-13(2)21-18)7-5-14-6-9-17-15(12-14)10-11-20-17/h4,6,8-9,12,16,19H,3,5,7,10-11H2,1-2H3
InChIKeyDJMSWGPUEZPYAW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 115864534) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
PubChem CID115864534
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1ccc(C)o1
InChIInChI=1S/C18H23NO2/c1-3-19-16(18-8-4-13(2)21-18)7-5-14-6-9-17-15(12-14)10-11-20-17/h4,6,8-9,12,16,19H,3,5,7,10-11H2,1-2H3
InChIKeyDJMSWGPUEZPYAW-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
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-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
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
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115856908
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
CID 65444594
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-[(1S)-1-(5-methylfuran-2-yl)ethyl]guanidine
CID 97055859
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine (CID 115864534) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine is CCNC(CCc1ccc2c(c1)CCO2)c1ccc(C)o1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is DJMSWGPUEZPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19-16(18-8-4-13(2)21-18)7-5-14-6-9-17-15(12-14)10-11-20-17/h4,6,8-9,12,16,19H,3,5,7,10-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 115864534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).