N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

C18H21NS2 — CID 105018529

IUPACN-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cc2sccc2s1
InChIInChI=1S/C18H21NS2/c1-3-9-19-18(14-7-5-6-13(4-2)11-14)17-12-16-15(21-17)8-10-20-16/h5-8,10-12,18-19H,3-4,9H2,1-2H3
InChIKeyRAAJWJLDVXQZFU-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.61
Rot. Bonds6

About N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (PubChem CID 105018529) has the molecular formula C18H21NS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
PubChem CID105018529
Molecular FormulaC18H21NS2
Molecular Weight315.51 g/mol
Exact Mass315.11
IUPAC NameN-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cc2sccc2s1
InChIInChI=1S/C18H21NS2/c1-3-9-19-18(14-7-5-6-13(4-2)11-14)17-12-16-15(21-17)8-10-20-16/h5-8,10-12,18-19H,3-4,9H2,1-2H3
InChIKeyRAAJWJLDVXQZFU-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115811372
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105050309
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (CID 105018529) is N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The InChIKey is RAAJWJLDVXQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS2/c1-3-9-19-18(14-7-5-6-13(4-2)11-14)17-12-16-15(21-17)8-10-20-16/h5-8,10-12,18-19H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine has a molecular weight of 315.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105018529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).