[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate

C23H28FNO2 — CID 12971694

IUPAC[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate
SMILESCN(C)Cc1ccc(C2CCC(OC(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-18-3-7-19(8-4-18)20-9-13-22(14-10-20)27-23(26)15-17-5-11-21(24)12-6-17/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3
InChIKeyUZYDQAABLNXODU-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.70
Rot. Bonds6

About [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate

[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate (PubChem CID 12971694) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate
PubChem CID12971694
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate
SMILESCN(C)Cc1ccc(C2CCC(OC(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-18-3-7-19(8-4-18)20-9-13-22(14-10-20)27-23(26)15-17-5-11-21(24)12-6-17/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3
InChIKeyUZYDQAABLNXODU-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate (CID 12971694) is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate is CN(C)Cc1ccc(C2CCC(OC(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate?
The InChIKey is UZYDQAABLNXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-25(2)16-18-3-7-19(8-4-18)20-9-13-22(14-10-20)27-23(26)15-17-5-11-21(24)12-6-17/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3.
What are the key properties of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate?
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate has a molecular weight of 369.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 12971694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).