1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine

C18H24FNS — CID 167142520

IUPAC1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCC(C)(C)c1ccc(-c2c(F)cccc2CN(C)C)s1
InChIInChI=1S/C18H24FNS/c1-6-18(2,3)16-11-10-15(21-16)17-13(12-20(4)5)8-7-9-14(17)19/h7-11H,6,12H2,1-5H3
InChIKeyRURRESIJLMCCOT-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.30
Rot. Bonds5

About 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine

1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 167142520) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID167142520
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC Name1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCC(C)(C)c1ccc(-c2c(F)cccc2CN(C)C)s1
InChIInChI=1S/C18H24FNS/c1-6-18(2,3)16-11-10-15(21-16)17-13(12-20(4)5)8-7-9-14(17)19/h7-11H,6,12H2,1-5H3
InChIKeyRURRESIJLMCCOT-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine (CID 167142520) is 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine is CCC(C)(C)c1ccc(-c2c(F)cccc2CN(C)C)s1.
What is the InChIKey of 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is RURRESIJLMCCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-6-18(2,3)16-11-10-15(21-16)17-13(12-20(4)5)8-7-9-14(17)19/h7-11H,6,12H2,1-5H3.
What are the key properties of 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 305.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[5-(2-methylbutan-2-yl)thiophen-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167142520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).