1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine

C17H21FN2OS — CID 77095979

IUPAC1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc(CN2CC(Oc3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H21FN2OS/c1-19(2)8-13-7-17(22-12-13)11-20-9-16(10-20)21-15-5-3-14(18)4-6-15/h3-7,12,16H,8-11H2,1-2H3
InChIKeyACCRQDCSWVEUJS-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.21
Rot. Bonds6

About 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 77095979) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID77095979
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc(CN2CC(Oc3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H21FN2OS/c1-19(2)8-13-7-17(22-12-13)11-20-9-16(10-20)21-15-5-3-14(18)4-6-15/h3-7,12,16H,8-11H2,1-2H3
InChIKeyACCRQDCSWVEUJS-UHFFFAOYSA-N
XLogP3.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 77095979) is 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1csc(CN2CC(Oc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ACCRQDCSWVEUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-19(2)8-13-7-17(22-12-13)11-20-9-16(10-20)21-15-5-3-14(18)4-6-15/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 320.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 77095979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).