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

C24H32FNO — CID 23105823

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1
InChIInChI=1S/C24H32FNO/c1-18-5-4-6-21(13-18)16-24(27)12-11-20(15-22(24)17-26(2)3)14-19-7-9-23(25)10-8-19/h4-10,13,20,22,27H,11-12,14-17H2,1-3H3
InChIKeyUGSZZRQASMUWIA-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.63
Rot. Bonds6

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

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 23105823) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID23105823
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1
InChIInChI=1S/C24H32FNO/c1-18-5-4-6-21(13-18)16-24(27)12-11-20(15-22(24)17-26(2)3)14-19-7-9-23(25)10-8-19/h4-10,13,20,22,27H,11-12,14-17H2,1-3H3
InChIKeyUGSZZRQASMUWIA-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol (CID 23105823) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol is Cc1cccc(CC2(O)CCC(Cc3ccc(F)cc3)CC2CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is UGSZZRQASMUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO/c1-18-5-4-6-21(13-18)16-24(27)12-11-20(15-22(24)17-26(2)3)14-19-7-9-23(25)10-8-19/h4-10,13,20,22,27H,11-12,14-17H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 369.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).