2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol

C20H26FNOS — CID 69135497

IUPAC2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol
SMILESCN(C)CC1CC(c2sccc2Cc2ccc(F)cc2)CCC1O
InChIInChI=1S/C20H26FNOS/c1-22(2)13-17-12-15(5-8-19(17)23)20-16(9-10-24-20)11-14-3-6-18(21)7-4-14/h3-4,6-7,9-10,15,17,19,23H,5,8,11-13H2,1-2H3
InChIKeyNZKVFEMMYMRKNH-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.28
Rot. Bonds5

About 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol

2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol (PubChem CID 69135497) has the molecular formula C20H26FNOS and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol
PubChem CID69135497
Molecular FormulaC20H26FNOS
Molecular Weight347.50 g/mol
Exact Mass347.17
IUPAC Name2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol
SMILESCN(C)CC1CC(c2sccc2Cc2ccc(F)cc2)CCC1O
InChIInChI=1S/C20H26FNOS/c1-22(2)13-17-12-15(5-8-19(17)23)20-16(9-10-24-20)11-14-3-6-18(21)7-4-14/h3-4,6-7,9-10,15,17,19,23H,5,8,11-13H2,1-2H3
InChIKeyNZKVFEMMYMRKNH-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol (CID 69135497) is 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol is CN(C)CC1CC(c2sccc2Cc2ccc(F)cc2)CCC1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol?
The InChIKey is NZKVFEMMYMRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNOS/c1-22(2)13-17-12-15(5-8-19(17)23)20-16(9-10-24-20)11-14-3-6-18(21)7-4-14/h3-4,6-7,9-10,15,17,19,23H,5,8,11-13H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol has a molecular weight of 347.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[3-[(4-fluorophenyl)methyl]thiophen-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69135497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).