1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

C17H20FNS — CID 106883974

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20FNS/c1-10-7-11(2)16(13(18)8-10)17(19-3)15-9-12-5-4-6-14(12)20-15/h7-9,17,19H,4-6H2,1-3H3
InChIKeyYPRSAKQZECZYLN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.30
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106883974) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106883974
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20FNS/c1-10-7-11(2)16(13(18)8-10)17(19-3)15-9-12-5-4-6-14(12)20-15/h7-9,17,19H,4-6H2,1-3H3
InChIKeyYPRSAKQZECZYLN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine with MolForge

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Related Compounds

[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106884546
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 43483141
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115852483
1-(5-bromo-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105011696
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115851983
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43485370
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884532
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105011890
1-(2,5-dibromothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486870

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (CID 106883974) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is CNC(c1cc2c(s1)CCC2)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is YPRSAKQZECZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-10-7-11(2)16(13(18)8-10)17(19-3)15-9-12-5-4-6-14(12)20-15/h7-9,17,19H,4-6H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.30, 3 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)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106883974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).