5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine

C17H21NO2S — CID 105035240

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc2c(s1)CCC2
InChIInChI=1S/C17H21NO2S/c1-19-9-10-20-14-7-3-2-6-13(14)17(18)16-11-12-5-4-8-15(12)21-16/h2-3,6-7,11,17H,4-5,8-10,18H2,1H3
InChIKeyMZYBZVRKMNOIHW-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds6

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 105035240) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID105035240
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc2c(s1)CCC2
InChIInChI=1S/C17H21NO2S/c1-19-9-10-20-14-7-3-2-6-13(14)17(18)16-11-12-5-4-8-15(12)21-16/h2-3,6-7,11,17H,4-5,8-10,18H2,1H3
InChIKeyMZYBZVRKMNOIHW-UHFFFAOYSA-N
XLogP3.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115833031
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanamine
CID 104660123
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methoxy-3-methylphenyl)methanamine
CID 43464848
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine (CID 105035240) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is MZYBZVRKMNOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-19-9-10-20-14-7-3-2-6-13(14)17(18)16-11-12-5-4-8-15(12)21-16/h2-3,6-7,11,17H,4-5,8-10,18H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 105035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).