4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

C16H15NOS2 — CID 43766039

IUPAC4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H15NOS2/c1-18-14-6-4-13(5-7-14)17-10-15-9-12(11-20-15)16-3-2-8-19-16/h2-9,11,17H,10H2,1H3
InChIKeyVBNHEUKYTKRSDM-UHFFFAOYSA-N
MW301.44 g/mol
LogP5.10
Rot. Bonds5

About 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (PubChem CID 43766039) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
PubChem CID43766039
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H15NOS2/c1-18-14-6-4-13(5-7-14)17-10-15-9-12(11-20-15)16-3-2-8-19-16/h2-9,11,17H,10H2,1H3
InChIKeyVBNHEUKYTKRSDM-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
4-bromo-3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 82859876
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804063
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788599
2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43759563
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019201
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961
4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43764932

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (CID 43766039) is 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is COc1ccc(NCc2cc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The InChIKey is VBNHEUKYTKRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-18-14-6-4-13(5-7-14)17-10-15-9-12(11-20-15)16-3-2-8-19-16/h2-9,11,17H,10H2,1H3.
What are the key properties of 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline has a molecular weight of 301.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43766039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).