1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine

C20H24FNOS — CID 10269094

IUPAC1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CC=C1c1cccs1
InChIInChI=1S/C20H24FNOS/c1-22(2)13-16-12-18(9-10-19(16)20-4-3-11-24-20)23-14-15-5-7-17(21)8-6-15/h3-8,10-11,16,18H,9,12-14H2,1-2H3
InChIKeyGWDOSYLLVWLNRV-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.83
Rot. Bonds6

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

1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine (PubChem CID 10269094) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine
PubChem CID10269094
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CC=C1c1cccs1
InChIInChI=1S/C20H24FNOS/c1-22(2)13-16-12-18(9-10-19(16)20-4-3-11-24-20)23-14-15-5-7-17(21)8-6-15/h3-8,10-11,16,18H,9,12-14H2,1-2H3
InChIKeyGWDOSYLLVWLNRV-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.83
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)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine (CID 10269094) is 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine is CN(C)CC1CC(OCc2ccc(F)cc2)CC=C1c1cccs1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
The InChIKey is GWDOSYLLVWLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c1-22(2)13-16-12-18(9-10-19(16)20-4-3-11-24-20)23-14-15-5-7-17(21)8-6-15/h3-8,10-11,16,18H,9,12-14H2,1-2H3.
What are the key properties of 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine?
1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine has a molecular weight of 345.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methoxy]-2-thiophen-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10269094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).