N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

C17H19NS2 — CID 115849469

IUPACN-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C17H19NS2/c1-18-14(9-5-8-13-6-3-2-4-7-13)16-12-17-15(20-16)10-11-19-17/h2-4,6-7,10-12,14,18H,5,8-9H2,1H3
InChIKeyRYIGSUDVFYISJO-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.25
Rot. Bonds6

About N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (PubChem CID 115849469) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
PubChem CID115849469
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC NameN-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C17H19NS2/c1-18-14(9-5-8-13-6-3-2-4-7-13)16-12-17-15(20-16)10-11-19-17/h2-4,6-7,10-12,14,18H,5,8-9H2,1H3
InChIKeyRYIGSUDVFYISJO-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115849606
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818614
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The IUPAC name of N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (CID 115849469) is N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is CNC(CCCc1ccccc1)c1cc2sccc2s1.
What is the InChIKey of N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The InChIKey is RYIGSUDVFYISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-18-14(9-5-8-13-6-3-2-4-7-13)16-12-17-15(20-16)10-11-19-17/h2-4,6-7,10-12,14,18H,5,8-9H2,1H3.
What are the key properties of N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is sourced from PubChem (CID 115849469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).