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

C20H26FNOS — CID 23105743

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccs1
InChIInChI=1S/C20H26FNOS/c1-22(2)14-17-13-16(12-15-5-7-18(21)8-6-15)9-10-20(17,23)19-4-3-11-24-19/h3-8,11,16-17,23H,9-10,12-14H2,1-2H3
InChIKeyBSWVFSJEGSNKIG-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.30
Rot. Bonds5

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

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 23105743) has the molecular formula C20H26FNOS and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID23105743
Molecular FormulaC20H26FNOS
Molecular Weight347.50 g/mol
Exact Mass347.17
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccs1
InChIInChI=1S/C20H26FNOS/c1-22(2)14-17-13-16(12-15-5-7-18(21)8-6-15)9-10-20(17,23)19-4-3-11-24-19/h3-8,11,16-17,23H,9-10,12-14H2,1-2H3
InChIKeyBSWVFSJEGSNKIG-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (CID 23105743) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is BSWVFSJEGSNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNOS/c1-22(2)14-17-13-16(12-15-5-7-18(21)8-6-15)9-10-20(17,23)19-4-3-11-24-19/h3-8,11,16-17,23H,9-10,12-14H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 347.50 g/mol, XLogP of 4.30, 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-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 23105743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).