N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine

C16H23NO2S — CID 10924336

IUPACN,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine
SMILESCC(C)Oc1cc(OC(C)C)c2cc(N(C)C)sc2c1
InChIInChI=1S/C16H23NO2S/c1-10(2)18-12-7-14(19-11(3)4)13-9-16(17(5)6)20-15(13)8-12/h7-11H,1-6H3
InChIKeyXLMPYECASLAYAV-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.54
Rot. Bonds5

About N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine

N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine (PubChem CID 10924336) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine
PubChem CID10924336
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine
SMILESCC(C)Oc1cc(OC(C)C)c2cc(N(C)C)sc2c1
InChIInChI=1S/C16H23NO2S/c1-10(2)18-12-7-14(19-11(3)4)13-9-16(17(5)6)20-15(13)8-12/h7-11H,1-6H3
InChIKeyXLMPYECASLAYAV-UHFFFAOYSA-N
XLogP4.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine?
The IUPAC name of N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine (CID 10924336) is N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine?
The canonical SMILES for N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine is CC(C)Oc1cc(OC(C)C)c2cc(N(C)C)sc2c1.
What is the InChIKey of N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine?
The InChIKey is XLMPYECASLAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10(2)18-12-7-14(19-11(3)4)13-9-16(17(5)6)20-15(13)8-12/h7-11H,1-6H3.
What are the key properties of N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine?
N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine is sourced from PubChem (CID 10924336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).