4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline

C16H15NOS — CID 46947162

IUPAC4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H15NOS/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10,17H,1-2H3
InChIKeyUVBGEUNBOIPFPC-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.62
Rot. Bonds3

About 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline

4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline (PubChem CID 46947162) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
PubChem CID46947162
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H15NOS/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10,17H,1-2H3
InChIKeyUVBGEUNBOIPFPC-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one
CID 145263202
6-methoxy-2-[4-(trifluoromethoxy)phenyl]-1-benzothiophene
CID 90343137
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
7-methoxy-2-(4-methylphenyl)thiochromen-4-one
CID 154713863
5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
5-(4-methoxyphenyl)-N-methylthiophen-2-amine
CID 82073086
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
2-[(1Z)-cyclododecen-1-yl]-6-methoxy-1-benzothiophene
CID 19002827
6-methoxy-2-(4-methoxy-2-nitrophenyl)-1-benzothiophene
CID 23087551
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline (CID 46947162) is 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline is CNc1ccc(-c2cc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline?
The InChIKey is UVBGEUNBOIPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10,17H,1-2H3.
What are the key properties of 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline?
4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline has a molecular weight of 269.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline is sourced from PubChem (CID 46947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).