5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine

C18H19NO2S — CID 10519272

IUPAC5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
SMILESCOc1cc2cc(N(C)C)sc2cc1OCc1ccccc1
InChIInChI=1S/C18H19NO2S/c1-19(2)18-10-14-9-15(20-3)16(11-17(14)22-18)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyNLMQDCDGANKPIC-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.55
Rot. Bonds5

About 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine

5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine (PubChem CID 10519272) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
PubChem CID10519272
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
SMILESCOc1cc2cc(N(C)C)sc2cc1OCc1ccccc1
InChIInChI=1S/C18H19NO2S/c1-19(2)18-10-14-9-15(20-3)16(11-17(14)22-18)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyNLMQDCDGANKPIC-UHFFFAOYSA-N
XLogP4.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The IUPAC name of 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine (CID 10519272) is 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The canonical SMILES for 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine is COc1cc2cc(N(C)C)sc2cc1OCc1ccccc1.
What is the InChIKey of 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The InChIKey is NLMQDCDGANKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19(2)18-10-14-9-15(20-3)16(11-17(14)22-18)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3.
What are the key properties of 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine has a molecular weight of 313.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 10519272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).