2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol

C23H30FNO2 — CID 10156075

IUPAC2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCc1cc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)ccc1F
InChIInChI=1S/C23H30FNO2/c1-17-13-19(9-10-22(17)24)23(26)12-11-21(14-20(23)15-25(2)3)27-16-18-7-5-4-6-8-18/h4-10,13,20-21,26H,11-12,14-16H2,1-3H3
InChIKeyZBWWRMNTHUOBPE-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.27
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol (PubChem CID 10156075) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol
PubChem CID10156075
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCc1cc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)ccc1F
InChIInChI=1S/C23H30FNO2/c1-17-13-19(9-10-22(17)24)23(26)12-11-21(14-20(23)15-25(2)3)27-16-18-7-5-4-6-8-18/h4-10,13,20-21,26H,11-12,14-16H2,1-3H3
InChIKeyZBWWRMNTHUOBPE-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]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol (CID 10156075) is 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol is Cc1cc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)ccc1F.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The InChIKey is ZBWWRMNTHUOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-17-13-19(9-10-22(17)24)23(26)12-11-21(14-20(23)15-25(2)3)27-16-18-7-5-4-6-8-18/h4-10,13,20-21,26H,11-12,14-16H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-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]-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 10156075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).