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

C23H30FNO2 — CID 10270573

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccccc1C1(O)CCC(OCc2ccc(F)cc2)CC1CN(C)C
InChIInChI=1S/C23H30FNO2/c1-17-6-4-5-7-22(17)23(26)13-12-21(14-19(23)15-25(2)3)27-16-18-8-10-20(24)11-9-18/h4-11,19,21,26H,12-16H2,1-3H3
InChIKeyORQQKLNLELPLLZ-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.27
Rot. Bonds6

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

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol (PubChem CID 10270573) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol
PubChem CID10270573
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccccc1C1(O)CCC(OCc2ccc(F)cc2)CC1CN(C)C
InChIInChI=1S/C23H30FNO2/c1-17-6-4-5-7-22(17)23(26)13-12-21(14-19(23)15-25(2)3)27-16-18-8-10-20(24)11-9-18/h4-11,19,21,26H,12-16H2,1-3H3
InChIKeyORQQKLNLELPLLZ-UHFFFAOYSA-N
XLogP4.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.27
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-(2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol (CID 10270573) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol is Cc1ccccc1C1(O)CCC(OCc2ccc(F)cc2)CC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol?
The InChIKey is ORQQKLNLELPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-17-6-4-5-7-22(17)23(26)13-12-21(14-19(23)15-25(2)3)27-16-18-8-10-20(24)11-9-18/h4-11,19,21,26H,12-16H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)cyclohexan-1-ol has a molecular weight of 371.50 g/mol, XLogP of 4.27, 6 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-(2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 10270573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).