2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol

C25H34FNO2 — CID 10179062

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)cc1
InChIInChI=1S/C25H34FNO2/c1-18(2)20-7-9-21(10-8-20)25(28)14-13-24(15-22(25)16-27(3)4)29-17-19-5-11-23(26)12-6-19/h5-12,18,22,24,28H,13-17H2,1-4H3
InChIKeyOBDWRJAISCKVBJ-UHFFFAOYSA-N
MW399.55 g/mol
LogP5.08
Rot. Bonds7

About 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol (PubChem CID 10179062) has the molecular formula C25H34FNO2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
PubChem CID10179062
Molecular FormulaC25H34FNO2
Molecular Weight399.55 g/mol
Exact Mass399.26
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)cc1
InChIInChI=1S/C25H34FNO2/c1-18(2)20-7-9-21(10-8-20)25(28)14-13-24(15-22(25)16-27(3)4)29-17-19-5-11-23(26)12-6-19/h5-12,18,22,24,28H,13-17H2,1-4H3
InChIKeyOBDWRJAISCKVBJ-UHFFFAOYSA-N
XLogP5.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 55.08
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)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol (CID 10179062) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol is CC(C)c1ccc(C2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The InChIKey is OBDWRJAISCKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2/c1-18(2)20-7-9-21(10-8-20)25(28)14-13-24(15-22(25)16-27(3)4)29-17-19-5-11-23(26)12-6-19/h5-12,18,22,24,28H,13-17H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol has a molecular weight of 399.55 g/mol, XLogP of 5.08, 7 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)methoxy]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 10179062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).