1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine

C17H19NOS — CID 114745502

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C17H19NOS/c1-18-16(12-20-14-7-3-2-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h2-9,16,18H,10-12H2,1H3
InChIKeyOJWTZGMOGYDWIE-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.67
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine (PubChem CID 114745502) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
PubChem CID114745502
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C17H19NOS/c1-18-16(12-20-14-7-3-2-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h2-9,16,18H,10-12H2,1H3
InChIKeyOJWTZGMOGYDWIE-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226295
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
CID 103517236
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine (CID 114745502) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is OJWTZGMOGYDWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-18-16(12-20-14-7-3-2-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h2-9,16,18H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 285.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 114745502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).