1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine

C21H23NO2S — CID 19788995

IUPAC1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2cc(CN(C)C)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C21H23NO2S/c1-22(2)14-17-13-20(15-5-9-18(23-3)10-6-15)25-21(17)16-7-11-19(24-4)12-8-16/h5-13H,14H2,1-4H3
InChIKeyZNJAPDLFVDPGMN-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.16
Rot. Bonds6

About 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine

1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 19788995) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID19788995
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2cc(CN(C)C)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C21H23NO2S/c1-22(2)14-17-13-20(15-5-9-18(23-3)10-6-15)25-21(17)16-7-11-19(24-4)12-8-16/h5-13H,14H2,1-4H3
InChIKeyZNJAPDLFVDPGMN-UHFFFAOYSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine (CID 19788995) is 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine is COc1ccc(-c2cc(CN(C)C)c(-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ZNJAPDLFVDPGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-22(2)14-17-13-20(15-5-9-18(23-3)10-6-15)25-21(17)16-7-11-19(24-4)12-8-16/h5-13H,14H2,1-4H3.
What are the key properties of 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine?
1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 353.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 19788995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).