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

C23H29ClFNO — CID 23105745

IUPAC1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClFNO/c1-26(2)16-20-13-18(12-17-6-8-22(25)9-7-17)10-11-23(20,27)15-19-4-3-5-21(24)14-19/h3-9,14,18,20,27H,10-13,15-16H2,1-2H3
InChIKeyONQSXUUUFYNTFZ-UHFFFAOYSA-N
MW389.94 g/mol
LogP4.97
Rot. Bonds6

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

1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 23105745) has the molecular formula C23H29ClFNO and a molecular weight of 389.94 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID23105745
Molecular FormulaC23H29ClFNO
Molecular Weight389.94 g/mol
Exact Mass389.19
IUPAC Name1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClFNO/c1-26(2)16-20-13-18(12-17-6-8-22(25)9-7-17)10-11-23(20,27)15-19-4-3-5-21(24)14-19/h3-9,14,18,20,27H,10-13,15-16H2,1-2H3
InChIKeyONQSXUUUFYNTFZ-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol (CID 23105745) is 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is ONQSXUUUFYNTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNO/c1-26(2)16-20-13-18(12-17-6-8-22(25)9-7-17)10-11-23(20,27)15-19-4-3-5-21(24)14-19/h3-9,14,18,20,27H,10-13,15-16H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 389.94 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).