1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol

C114H144Cl2F5N5O6S — CID 173240786

About 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol

1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 173240786) has the molecular formula C114H144Cl2F5N5O6S and a molecular weight of 1878.40 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
• PubChem CID: 173240786
• Molecular Formula: C114H144Cl2F5N5O6S
• Molecular Weight: 1878.40 g/mol
• Exact Mass: 1876.01
• IUPAC Name: 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
• SMILES: CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)C#Cc1ccccc1.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCCc1ccccc1.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccc(Cl)c1Cl.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccs1.COc1cccc(C2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1
• InChI: InChI=1S/C25H34FNO.C24H28FNO.C23H30FNO2.C22H26Cl2FNO.C20H26FNOS/c1-27(2)19-23-18-22(17-21-10-12-24(26)13-11-21)14-16-25(23,28)15-6-9-20-7-4-3-5-8-20;1-26(2)18-22-17-21(16-20-8-10-23(25)11-9-20)13-15-24(22,27)14-12-19-6-4-3-5-7-19;1-25(2)16-20-14-18(13-17-7-9-21(24)10-8-17)11-12-23(20,26)19-5-4-6-22(15-19)27-3;1-26(2)14-17-13-16(12-15-6-8-18(25)9-7-15)10-11-22(17,27)19-4-3-5-20(23)21(19)24;1-22(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/h3-5,7-8,10-13,22-23,28H,6,9,14-19H2,1-2H3;3-11,21-22,27H,13,15-18H2,1-2H3;4-10,15,18,20,26H,11-14,16H2,1-3H3;3-9,16-17,27H,10-14H2,1-2H3;3-8,11,16-17,23H,9-10,12-14H2,1-2H3
• InChIKey: ZLWGPAPGCVIMKZ-UHFFFAOYSA-N
• XLogP: 23.31
• TPSA: 126.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.40
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?

The IUPAC name of 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol (CID 173240786) is 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol.

What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?

The canonical SMILES for 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)C#Cc1ccccc1.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCCc1ccccc1.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccc(Cl)c1Cl.CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccs1.COc1cccc(C2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1.

What is the InChIKey of 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?

The InChIKey is ZLWGPAPGCVIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO.C24H28FNO.C23H30FNO2.C22H26Cl2FNO.C20H26FNOS/c1-27(2)19-23-18-22(17-21-10-12-24(26)13-11-21)14-16-25(23,28)15-6-9-20-7-4-3-5-8-20;1-26(2)18-22-17-21(16-20-8-10-23(25)11-9-20)13-15-24(22,27)14-12-19-6-4-3-5-7-19;1-25(2)16-20-14-18(13-17-7-9-21(24)10-8-17)11-12-23(20,26)19-5-4-6-22(15-19)27-3;1-26(2)14-17-13-16(12-15-6-8-18(25)9-7-15)10-11-22(17,27)19-4-3-5-20(23)21(19)24;1-22(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/h3-5,7-8,10-13,22-23,28H,6,9,14-19H2,1-2H3;3-11,21-22,27H,13,15-18H2,1-2H3;4-10,15,18,20,26H,11-14,16H2,1-3H3;3-9,16-17,27H,10-14H2,1-2H3;3-8,11,16-17,23H,9-10,12-14H2,1-2H3.

What are the key properties of 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol?

1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 1878.40 g/mol, XLogP of 23.31, 28 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethynyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol;2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 173240786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).