N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

C15H21NO2S — CID 115905866

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1cccc2cc(C(C)NC(C)CSC)oc12
InChIInChI=1S/C15H21NO2S/c1-10(9-19-4)16-11(2)14-8-12-6-5-7-13(17-3)15(12)18-14/h5-8,10-11,16H,9H2,1-4H3
InChIKeyAXGNZTFCSUEFBX-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115905866) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115905866
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1cccc2cc(C(C)NC(C)CSC)oc12
InChIInChI=1S/C15H21NO2S/c1-10(9-19-4)16-11(2)14-8-12-6-5-7-13(17-3)15(12)18-14/h5-8,10-11,16H,9H2,1-4H3
InChIKeyAXGNZTFCSUEFBX-UHFFFAOYSA-N
XLogP3.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115905866) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is COc1cccc2cc(C(C)NC(C)CSC)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is AXGNZTFCSUEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10(9-19-4)16-11(2)14-8-12-6-5-7-13(17-3)15(12)18-14/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115905866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).