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

C24H31NO2 — CID 15284556

IUPAC[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC2CCC(c3ccc(CN(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H31NO2/c1-18-4-6-19(7-5-18)16-24(26)27-23-14-12-22(13-15-23)21-10-8-20(9-11-21)17-25(2)3/h4-11,22-23H,12-17H2,1-3H3
InChIKeyIWFXZAPTJBVWIH-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.87
Rot. Bonds6

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

[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate (PubChem CID 15284556) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate
PubChem CID15284556
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC2CCC(c3ccc(CN(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H31NO2/c1-18-4-6-19(7-5-18)16-24(26)27-23-14-12-22(13-15-23)21-10-8-20(9-11-21)17-25(2)3/h4-11,22-23H,12-17H2,1-3H3
InChIKeyIWFXZAPTJBVWIH-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.87
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-methylphenyl)acetate?
The IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate (CID 15284556) is [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate?
The canonical SMILES for [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)OC2CCC(c3ccc(CN(C)C)cc3)CC2)cc1.
What is the InChIKey of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate?
The InChIKey is IWFXZAPTJBVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18-4-6-19(7-5-18)16-24(26)27-23-14-12-22(13-15-23)21-10-8-20(9-11-21)17-25(2)3/h4-11,22-23H,12-17H2,1-3H3.
What are the key properties of [4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate?
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate has a molecular weight of 365.52 g/mol, XLogP of 4.87, 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-methylphenyl)acetate is sourced from PubChem (CID 15284556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).