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

C24H32FNO — CID 23105689

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C24H32FNO/c1-26(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/h3-11,21-22,27H,12-18H2,1-2H3
InChIKeyKUEBKKLMQKJUJZ-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.71
Rot. Bonds7

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

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 23105689) 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-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID23105689
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C24H32FNO/c1-26(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/h3-11,21-22,27H,12-18H2,1-2H3
InChIKeyKUEBKKLMQKJUJZ-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.71
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-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (CID 23105689) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is KUEBKKLMQKJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO/c1-26(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/h3-11,21-22,27H,12-18H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 369.52 g/mol, XLogP of 4.71, 7 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-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 23105689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).