1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine

C19H25NS — CID 43287744

IUPAC1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C19H25NS/c1-3-6-17(20-4-2)19-12-11-18(21-19)16-10-9-14-7-5-8-15(14)13-16/h9-13,17,20H,3-8H2,1-2H3
InChIKeyCCHWFINVWCJFRT-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.35
Rot. Bonds6

About 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine

1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine (PubChem CID 43287744) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
PubChem CID43287744
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C19H25NS/c1-3-6-17(20-4-2)19-12-11-18(21-19)16-10-9-14-7-5-8-15(14)13-16/h9-13,17,20H,3-8H2,1-2H3
InChIKeyCCHWFINVWCJFRT-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]propan-1-one
CID 43331715
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 115864905

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine (CID 43287744) is 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(-c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine?
The InChIKey is CCHWFINVWCJFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-6-17(20-4-2)19-12-11-18(21-19)16-10-9-14-7-5-8-15(14)13-16/h9-13,17,20H,3-8H2,1-2H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine?
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine is sourced from PubChem (CID 43287744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).