(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine

C17H19NO2S — CID 146380312

IUPAC(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNCC[C@H](Oc1cccc2ccoc12)c1ccc(C)s1
InChIInChI=1S/C17H19NO2S/c1-12-6-7-16(21-12)14(8-10-18-2)20-15-5-3-4-13-9-11-19-17(13)15/h3-7,9,11,14,18H,8,10H2,1-2H3/t14-/m0/s1
InChIKeyBNBATSIBUYGGSP-AWEZNQCLSA-N
MW301.41 g/mol
LogP4.53
Rot. Bonds6

About (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine

(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine (PubChem CID 146380312) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine
PubChem CID146380312
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNCC[C@H](Oc1cccc2ccoc12)c1ccc(C)s1
InChIInChI=1S/C17H19NO2S/c1-12-6-7-16(21-12)14(8-10-18-2)20-15-5-3-4-13-9-11-19-17(13)15/h3-7,9,11,14,18H,8,10H2,1-2H3/t14-/m0/s1
InChIKeyBNBATSIBUYGGSP-AWEZNQCLSA-N
XLogP4.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine (CID 146380312) is (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine is CNCC[C@H](Oc1cccc2ccoc12)c1ccc(C)s1.
What is the InChIKey of (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine?
The InChIKey is BNBATSIBUYGGSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-6-7-16(21-12)14(8-10-18-2)20-15-5-3-4-13-9-11-19-17(13)15/h3-7,9,11,14,18H,8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine?
(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(5-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 146380312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).