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

C16H16ClNS2 — CID 115811372

IUPACN-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc2sccc2s1
InChIInChI=1S/C16H16ClNS2/c1-2-7-18-16(11-4-3-5-12(17)9-11)15-10-14-13(20-15)6-8-19-14/h3-6,8-10,16,18H,2,7H2,1H3
InChIKeyBEFTVNZBEMAUAC-UHFFFAOYSA-N
MW321.90 g/mol
LogP5.71
Rot. Bonds5

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

N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (PubChem CID 115811372) has the molecular formula C16H16ClNS2 and a molecular weight of 321.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
PubChem CID115811372
Molecular FormulaC16H16ClNS2
Molecular Weight321.90 g/mol
Exact Mass321.04
IUPAC NameN-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc2sccc2s1
InChIInChI=1S/C16H16ClNS2/c1-2-7-18-16(11-4-3-5-12(17)9-11)15-10-14-13(20-15)6-8-19-14/h3-6,8-10,16,18H,2,7H2,1H3
InChIKeyBEFTVNZBEMAUAC-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.90
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(3-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115811211
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-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (CID 115811372) is N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The InChIKey is BEFTVNZBEMAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNS2/c1-2-7-18-16(11-4-3-5-12(17)9-11)15-10-14-13(20-15)6-8-19-14/h3-6,8-10,16,18H,2,7H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine has a molecular weight of 321.90 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 115811372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).