1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine

C17H21NOS — CID 105187245

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H21NOS/c1-2-18-16(11-13-8-10-20-12-13)15-7-3-5-14-6-4-9-19-17(14)15/h3,5,7-8,10,12,16,18H,2,4,6,9,11H2,1H3
InChIKeyAQPFSKOSASGVMU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.97
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 105187245) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID105187245
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H21NOS/c1-2-18-16(11-13-8-10-20-12-13)15-7-3-5-14-6-4-9-19-17(14)15/h3,5,7-8,10,12,16,18H,2,4,6,9,11H2,1H3
InChIKeyAQPFSKOSASGVMU-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079304
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine (CID 105187245) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is AQPFSKOSASGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-18-16(11-13-8-10-20-12-13)15-7-3-5-14-6-4-9-19-17(14)15/h3,5,7-8,10,12,16,18H,2,4,6,9,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105187245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).