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

C17H17NOS2 — CID 63476524

IUPAC4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3cccs3)cs2)c(C)c1
InChIInChI=1S/C17H17NOS2/c1-12-8-14(19-2)5-6-16(12)18-10-15-9-13(11-21-15)17-4-3-7-20-17/h3-9,11,18H,10H2,1-2H3
InChIKeyCQMUJPIURXUHOJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.41
Rot. Bonds5

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

4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (PubChem CID 63476524) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
PubChem CID63476524
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC Name4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3cccs3)cs2)c(C)c1
InChIInChI=1S/C17H17NOS2/c1-12-8-14(19-2)5-6-16(12)18-10-15-9-13(11-21-15)17-4-3-7-20-17/h3-9,11,18H,10H2,1-2H3
InChIKeyCQMUJPIURXUHOJ-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.41
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-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43764932
4-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyridin-3-amine
CID 63329419
2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43759563
2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43788820
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
5-fluoro-2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]benzonitrile
CID 82014697
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (CID 63476524) is 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is COc1ccc(NCc2cc(-c3cccs3)cs2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The InChIKey is CQMUJPIURXUHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS2/c1-12-8-14(19-2)5-6-16(12)18-10-15-9-13(11-21-15)17-4-3-7-20-17/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline has a molecular weight of 315.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 63476524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).