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

C20H20FNOS — CID 23372730

IUPAC1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2cc(CN(C)C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNOS/c1-22(2)13-18-12-19(14-6-10-17(23-3)11-7-14)20(24-18)15-4-8-16(21)9-5-15/h4-12H,13H2,1-3H3
InChIKeySVMUWTMQMHPLBE-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.29
Rot. Bonds5

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

1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine (PubChem CID 23372730) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine
PubChem CID23372730
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2cc(CN(C)C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNOS/c1-22(2)13-18-12-19(14-6-10-17(23-3)11-7-14)20(24-18)15-4-8-16(21)9-5-15/h4-12H,13H2,1-3H3
InChIKeySVMUWTMQMHPLBE-UHFFFAOYSA-N
XLogP5.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine (CID 23372730) is 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine is COc1ccc(-c2cc(CN(C)C)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SVMUWTMQMHPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c1-22(2)13-18-12-19(14-6-10-17(23-3)11-7-14)20(24-18)15-4-8-16(21)9-5-15/h4-12H,13H2,1-3H3.
What are the key properties of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine?
1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 341.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23372730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).