3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine

C18H23NO2S — CID 155302917

IUPAC3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCC1C=CSC1C(CCN(C)C)Oc1cccc2ccoc12
InChIInChI=1S/C18H23NO2S/c1-13-9-12-22-18(13)16(7-10-19(2)3)21-15-6-4-5-14-8-11-20-17(14)15/h4-6,8-9,11-13,16,18H,7,10H2,1-3H3
InChIKeyZUWOVAJLUQZJIN-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.40
Rot. Bonds6

About 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine

3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine (PubChem CID 155302917) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
PubChem CID155302917
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCC1C=CSC1C(CCN(C)C)Oc1cccc2ccoc12
InChIInChI=1S/C18H23NO2S/c1-13-9-12-22-18(13)16(7-10-19(2)3)21-15-6-4-5-14-8-11-20-17(14)15/h4-6,8-9,11-13,16,18H,7,10H2,1-3H3
InChIKeyZUWOVAJLUQZJIN-UHFFFAOYSA-N
XLogP4.40
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine (CID 155302917) is 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine is CC1C=CSC1C(CCN(C)C)Oc1cccc2ccoc12.
What is the InChIKey of 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The InChIKey is ZUWOVAJLUQZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13-9-12-22-18(13)16(7-10-19(2)3)21-15-6-4-5-14-8-11-20-17(14)15/h4-6,8-9,11-13,16,18H,7,10H2,1-3H3.
What are the key properties of 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine has a molecular weight of 317.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yloxy)-N,N-dimethyl-3-(3-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 155302917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).