2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

C19H25NS — CID 115864905

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc2c(c1)CCC2)c1cc(C)c(C)s1
InChIInChI=1S/C19H25NS/c1-4-20-18(19-10-13(2)14(3)21-19)12-15-8-9-16-6-5-7-17(16)11-15/h8-11,18,20H,4-7,12H2,1-3H3
InChIKeyXGDIMTUJVNVVLF-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.75
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (PubChem CID 115864905) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
PubChem CID115864905
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc2c(c1)CCC2)c1cc(C)c(C)s1
InChIInChI=1S/C19H25NS/c1-4-20-18(19-10-13(2)14(3)21-19)12-15-8-9-16-6-5-7-17(16)11-15/h8-11,18,20H,4-7,12H2,1-3H3
InChIKeyXGDIMTUJVNVVLF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 65239260
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63528156
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115864397
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
N-[2-(3-bromo-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 115818291
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (CID 115864905) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc2c(c1)CCC2)c1cc(C)c(C)s1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is XGDIMTUJVNVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-20-18(19-10-13(2)14(3)21-19)12-15-8-9-16-6-5-7-17(16)11-15/h8-11,18,20H,4-7,12H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 299.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115864905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).