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

C22H28FNO2 — CID 10269721

IUPAC2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccccc2)CCC1(O)c1cccc(F)c1
InChIInChI=1S/C22H28FNO2/c1-24(2)15-19-14-21(26-16-17-7-4-3-5-8-17)11-12-22(19,25)18-9-6-10-20(23)13-18/h3-10,13,19,21,25H,11-12,14-16H2,1-2H3
InChIKeyGCFPMEXREQEHDG-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.96
Rot. Bonds6

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

2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol (PubChem CID 10269721) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol
PubChem CID10269721
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccccc2)CCC1(O)c1cccc(F)c1
InChIInChI=1S/C22H28FNO2/c1-24(2)15-19-14-21(26-16-17-7-4-3-5-8-17)11-12-22(19,25)18-9-6-10-20(23)13-18/h3-10,13,19,21,25H,11-12,14-16H2,1-2H3
InChIKeyGCFPMEXREQEHDG-UHFFFAOYSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.96
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-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol (CID 10269721) is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol is CN(C)CC1CC(OCc2ccccc2)CCC1(O)c1cccc(F)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol?
The InChIKey is GCFPMEXREQEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO2/c1-24(2)15-19-14-21(26-16-17-7-4-3-5-8-17)11-12-22(19,25)18-9-6-10-20(23)13-18/h3-10,13,19,21,25H,11-12,14-16H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol has a molecular weight of 357.47 g/mol, XLogP of 3.96, 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-(3-fluorophenyl)-4-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 10269721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).