2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C18H23NOS — CID 105034371

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1ccc(C)s1
InChIInChI=1S/C18H23NOS/c1-3-19-16(18-9-8-13(2)21-18)12-14-10-11-20-17-7-5-4-6-15(14)17/h4-9,14,16,19H,3,10-12H2,1-2H3
InChIKeyGVIHUSRXAWYAFJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.66
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105034371) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105034371
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1ccc(C)s1
InChIInChI=1S/C18H23NOS/c1-3-19-16(18-9-8-13(2)21-18)12-14-10-11-20-17-7-5-4-6-15(14)17/h4-9,14,16,19H,3,10-12H2,1-2H3
InChIKeyGVIHUSRXAWYAFJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105179826
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
CID 105333561
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 105034371) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(CC1CCOc2ccccc21)c1ccc(C)s1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GVIHUSRXAWYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-19-16(18-9-8-13(2)21-18)12-14-10-11-20-17-7-5-4-6-15(14)17/h4-9,14,16,19H,3,10-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105034371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).