2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine

C17H20BrNS — CID 65411121

IUPAC2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C17H20BrNS/c1-2-19-16(11-17-15(18)7-8-20-17)14-9-12-5-3-4-6-13(12)10-14/h3-8,14,16,19H,2,9-11H2,1H3
InChIKeyBNOUUJAFPZQZQR-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.45
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine (PubChem CID 65411121) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
PubChem CID65411121
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C17H20BrNS/c1-2-19-16(11-17-15(18)7-8-20-17)14-9-12-5-3-4-6-13(12)10-14/h3-8,14,16,19H,2,9-11H2,1H3
InChIKeyBNOUUJAFPZQZQR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
CID 65412289
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylpropan-1-amine
CID 65410925
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
tert-butyl 3-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092337
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412104
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine (CID 65411121) is 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine is CCNC(Cc1sccc1Br)C1Cc2ccccc2C1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine?
The InChIKey is BNOUUJAFPZQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-2-19-16(11-17-15(18)7-8-20-17)14-9-12-5-3-4-6-13(12)10-14/h3-8,14,16,19H,2,9-11H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine has a molecular weight of 350.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65411121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).