2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol

C20H26FNO2S — CID 23105744

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccs1
InChIInChI=1S/C20H26FNO2S/c1-22(2)13-16-12-18(24-14-15-5-7-17(21)8-6-15)9-10-20(16,23)19-4-3-11-25-19/h3-8,11,16,18,23H,9-10,12-14H2,1-2H3
InChIKeySBVNXVQRVCOKDB-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.02
Rot. Bonds6

About 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 23105744) has the molecular formula C20H26FNO2S and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID23105744
Molecular FormulaC20H26FNO2S
Molecular Weight363.50 g/mol
Exact Mass363.17
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccs1
InChIInChI=1S/C20H26FNO2S/c1-22(2)13-16-12-18(24-14-15-5-7-17(21)8-6-15)9-10-20(16,23)19-4-3-11-25-19/h3-8,11,16,18,23H,9-10,12-14H2,1-2H3
InChIKeySBVNXVQRVCOKDB-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol (CID 23105744) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol is CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is SBVNXVQRVCOKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2S/c1-22(2)13-16-12-18(24-14-15-5-7-17(21)8-6-15)9-10-20(16,23)19-4-3-11-25-19/h3-8,11,16,18,23H,9-10,12-14H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 363.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 23105744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).