[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate

C22H26ClNO2 — CID 15461656

IUPAC[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
SMILESCNCc1ccc(C2CCC(OC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClNO2/c1-24-15-17-2-6-18(7-3-17)19-8-12-21(13-9-19)26-22(25)14-16-4-10-20(23)11-5-16/h2-7,10-11,19,21,24H,8-9,12-15H2,1H3
InChIKeyTXTLTRQHEFFRMV-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.87
Rot. Bonds6

About [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate

[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate (PubChem CID 15461656) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
PubChem CID15461656
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
SMILESCNCc1ccc(C2CCC(OC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClNO2/c1-24-15-17-2-6-18(7-3-17)19-8-12-21(13-9-19)26-22(25)14-16-4-10-20(23)11-5-16/h2-7,10-11,19,21,24H,8-9,12-15H2,1H3
InChIKeyTXTLTRQHEFFRMV-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate (CID 15461656) is [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate is CNCc1ccc(C2CCC(OC(=O)Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate?
The InChIKey is TXTLTRQHEFFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-24-15-17-2-6-18(7-3-17)19-8-12-21(13-9-19)26-22(25)14-16-4-10-20(23)11-5-16/h2-7,10-11,19,21,24H,8-9,12-15H2,1H3.
What are the key properties of [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate?
[4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate has a molecular weight of 371.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 15461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).