N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

C17H18FNS2 — CID 80733605

IUPACN-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)c1cc2sccc2s1
InChIInChI=1S/C17H18FNS2/c1-4-19-17(12-7-10(2)16(18)11(3)8-12)15-9-14-13(21-15)5-6-20-14/h5-9,17,19H,4H2,1-3H3
InChIKeyLGOAHEVEEHSPJD-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.42
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 80733605) has the molecular formula C17H18FNS2 and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID80733605
Molecular FormulaC17H18FNS2
Molecular Weight319.47 g/mol
Exact Mass319.09
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(F)c(C)c1)c1cc2sccc2s1
InChIInChI=1S/C17H18FNS2/c1-4-19-17(12-7-10(2)16(18)11(3)8-12)15-9-14-13(21-15)5-6-20-14/h5-9,17,19H,4H2,1-3H3
InChIKeyLGOAHEVEEHSPJD-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105038758

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 80733605) is N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCNC(c1cc(C)c(F)c(C)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is LGOAHEVEEHSPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS2/c1-4-19-17(12-7-10(2)16(18)11(3)8-12)15-9-14-13(21-15)5-6-20-14/h5-9,17,19H,4H2,1-3H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine has a molecular weight of 319.47 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 80733605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).