3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H17NO2S — CID 146380553

IUPAC3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C16H17NO2S/c1-17-8-5-14(13-7-10-20-11-13)19-15-4-2-3-12-6-9-18-16(12)15/h2-4,6-7,9-11,14,17H,5,8H2,1H3
InChIKeyKQJWBRDZJMJBBP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.22
Rot. Bonds6

About 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine

3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 146380553) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID146380553
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C16H17NO2S/c1-17-8-5-14(13-7-10-20-11-13)19-15-4-2-3-12-6-9-18-16(12)15/h2-4,6-7,9-11,14,17H,5,8H2,1H3
InChIKeyKQJWBRDZJMJBBP-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 146380552
(3S)-3-(1-benzofuran-7-yloxy)-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine;sulfane
CID 165059195
(4S)-4-(1-benzofuran-7-yloxy)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 166711998
7-(1-phenylbutoxy)-1-benzofuran
CID 142187410
(1R)-1-(1-benzofuran-7-yloxy)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 166998253
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 158180525
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 54073821
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 146380553) is 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNCCC(Oc1cccc2ccoc12)c1ccsc1.
What is the InChIKey of 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is KQJWBRDZJMJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17-8-5-14(13-7-10-20-11-13)19-15-4-2-3-12-6-9-18-16(12)15/h2-4,6-7,9-11,14,17H,5,8H2,1H3.
What are the key properties of 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine?
3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 146380553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).