2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine

C18H19NOS — CID 105187280

IUPAC2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)C1CSc2ccccc21
InChIInChI=1S/C18H19NOS/c19-17(15-11-21-16-9-2-1-7-13(15)16)14-8-3-5-12-6-4-10-20-18(12)14/h1-3,5,7-9,15,17H,4,6,10-11,19H2
InChIKeyRLACPSMOYSGIMG-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.90
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine

2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 105187280) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID105187280
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)C1CSc2ccccc21
InChIInChI=1S/C18H19NOS/c19-17(15-11-21-16-9-2-1-7-13(15)16)14-8-3-5-12-6-4-10-20-18(12)14/h1-3,5,7-9,15,17H,4,6,10-11,19H2
InChIKeyRLACPSMOYSGIMG-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105132247
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
3,4-dihydro-2H-chromen-8-yl-(4-methylmorpholin-2-yl)methanamine
CID 114745734
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 105187280) is 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1cccc2c1OCCC2)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is RLACPSMOYSGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c19-17(15-11-21-16-9-2-1-7-13(15)16)14-8-3-5-12-6-4-10-20-18(12)14/h1-3,5,7-9,15,17H,4,6,10-11,19H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 297.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 105187280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).