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

C17H20ClNO2 — CID 106692149

IUPAC1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1ccoc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-19-15(14-8-10-21-17(14)18)5-3-12-4-6-16-13(11-12)7-9-20-16/h4,6,8,10-11,15,19H,2-3,5,7,9H2,1H3
InChIKeyNQRJSNDKXISUAZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.15
Rot. Bonds6

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

1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine (PubChem CID 106692149) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
PubChem CID106692149
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc2c(c1)CCO2)c1ccoc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-19-15(14-8-10-21-17(14)18)5-3-12-4-6-16-13(11-12)7-9-20-16/h4,6,8,10-11,15,19H,2-3,5,7,9H2,1H3
InChIKeyNQRJSNDKXISUAZ-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730
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
(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
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-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
CID 65444594

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine (CID 106692149) is 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine is CCNC(CCc1ccc2c(c1)CCO2)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
The InChIKey is NQRJSNDKXISUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-19-15(14-8-10-21-17(14)18)5-3-12-4-6-16-13(11-12)7-9-20-16/h4,6,8,10-11,15,19H,2-3,5,7,9H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine?
1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 106692149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).