4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline

C17H17NOS — CID 46947165

IUPAC4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
SMILESCOc1cccc2sc(-c3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C17H17NOS/c1-18(2)13-9-7-12(8-10-13)17-11-14-15(19-3)5-4-6-16(14)20-17/h4-11H,1-3H3
InChIKeyCKYJMWJLBQKSOZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.64
Rot. Bonds3

About 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline

4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline (PubChem CID 46947165) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
PubChem CID46947165
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
SMILESCOc1cccc2sc(-c3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C17H17NOS/c1-18(2)13-9-7-12(8-10-13)17-11-14-15(19-3)5-4-6-16(14)20-17/h4-11H,1-3H3
InChIKeyCKYJMWJLBQKSOZ-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]aniline
CID 25058308
3-[2-[4-(Dimethylamino)phenyl]-5-methoxy-1-benzothiophen-3-yl]prop-2-yn-1-ol
CID 44142494
N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408848
4-[2-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]ethynyl]-N,N-dimethylaniline
CID 25058325
Isupsl-cho-5-460B
CID 44142495
Isupsl-cho-5-460C
CID 44142496
1-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]piperidine
CID 12190200
2-amino-4-[4-(dimethylamino)phenyl]-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
CID 3153376
6-Benzyloxy-2-dimethylaminobenzo[b]thiophene
CID 10612994
2-Dimethylamino-5-fluoro-6-methoxybenzo[b]thiophene
CID 10775569
N-(7-fluoro-4-methoxy-1-benzothien-2-yl)-N,N-dimethylamine
CID 22171134

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline (CID 46947165) is 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline is COc1cccc2sc(-c3ccc(N(C)C)cc3)cc12.
What is the InChIKey of 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
The InChIKey is CKYJMWJLBQKSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18(2)13-9-7-12(8-10-13)17-11-14-15(19-3)5-4-6-16(14)20-17/h4-11H,1-3H3.
What are the key properties of 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline?
4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline has a molecular weight of 283.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 46947165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).