N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine

C24H23NO2S — CID 10883637

IUPACN,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine
SMILESCN(C)c1cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2s1
InChIInChI=1S/C24H23NO2S/c1-25(2)24-15-21-22(27-17-19-11-7-4-8-12-19)13-20(14-23(21)28-24)26-16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3
InChIKeyRMYQIFAMXJGIBI-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.13
Rot. Bonds7

About N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine

N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine (PubChem CID 10883637) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine
PubChem CID10883637
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC NameN,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine
SMILESCN(C)c1cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2s1
InChIInChI=1S/C24H23NO2S/c1-25(2)24-15-21-22(27-17-19-11-7-4-8-12-19)13-20(14-23(21)28-24)26-16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3
InChIKeyRMYQIFAMXJGIBI-UHFFFAOYSA-N
XLogP6.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.13
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-bis(phenylmethoxy)-1-benzothiophen-2-amine?
The IUPAC name of N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine (CID 10883637) is N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine?
The canonical SMILES for N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine is CN(C)c1cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2s1.
What is the InChIKey of N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine?
The InChIKey is RMYQIFAMXJGIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-25(2)24-15-21-22(27-17-19-11-7-4-8-12-19)13-20(14-23(21)28-24)26-16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine?
N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine has a molecular weight of 389.52 g/mol, XLogP of 6.13, 7 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-bis(phenylmethoxy)-1-benzothiophen-2-amine is sourced from PubChem (CID 10883637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).