1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine

C19H25NS — CID 115849649

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H25NS/c1-2-20-17(12-6-10-15-8-4-3-5-9-15)19-14-16-11-7-13-18(16)21-19/h3-5,8-9,14,17,20H,2,6-7,10-13H2,1H3
InChIKeyAFOGEOQVXHILSF-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.91
Rot. Bonds7

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine (PubChem CID 115849649) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine
PubChem CID115849649
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H25NS/c1-2-20-17(12-6-10-15-8-4-3-5-9-15)19-14-16-11-7-13-18(16)21-19/h3-5,8-9,14,17,20H,2,6-7,10-13H2,1H3
InChIKeyAFOGEOQVXHILSF-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115849606
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024304
N-ethyl-4-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 105054975
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
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)-N-ethylbut-3-en-1-amine
CID 115815173
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63528156
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115820000

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine (CID 115849649) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine?
The InChIKey is AFOGEOQVXHILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-2-20-17(12-6-10-15-8-4-3-5-9-15)19-14-16-11-7-13-18(16)21-19/h3-5,8-9,14,17,20H,2,6-7,10-13H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).