methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate

C18H21NO2 — CID 118892450

IUPACmethyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate
SMILESCNc1ccc(CCc2ccc(C(=O)OC)cc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-12-17(19-2)11-10-15(13)7-4-14-5-8-16(9-6-14)18(20)21-3/h5-6,8-12,19H,4,7H2,1-3H3
InChIKeyJVECCLDQVCBMDW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.61
Rot. Bonds5

About methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate

methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate (PubChem CID 118892450) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate
PubChem CID118892450
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate
SMILESCNc1ccc(CCc2ccc(C(=O)OC)cc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-12-17(19-2)11-10-15(13)7-4-14-5-8-16(9-6-14)18(20)21-3/h5-6,8-12,19H,4,7H2,1-3H3
InChIKeyJVECCLDQVCBMDW-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxyphenyl]ethyl]benzoate
CID 171933762
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
ethane;methyl 4-[2-[3-ethyl-2-(methylamino)phenyl]ethyl]benzoate
CID 144819152
methyl 4-(3-chloropropyl)-3-methylbenzoate
CID 134635129
methyl 4-[(dimethylamino)methyl]-3-methylbenzoate
CID 69299966
methyl 4-[2-(2,6-difluoro-4-methylphenyl)ethyl]benzoate
CID 134272989
methyl 4-[(5-chloro-2-methylphenyl)methyl]benzoate
CID 142860305
methyl 4-(2-chlorosulfonylethyl)-3-methylbenzoate
CID 86672795
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate (CID 118892450) is methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate is CNc1ccc(CCc2ccc(C(=O)OC)cc2)c(C)c1.
What is the InChIKey of methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate?
The InChIKey is JVECCLDQVCBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-12-17(19-2)11-10-15(13)7-4-14-5-8-16(9-6-14)18(20)21-3/h5-6,8-12,19H,4,7H2,1-3H3.
What are the key properties of methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate?
methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate has a molecular weight of 283.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-methyl-4-(methylamino)phenyl]ethyl]benzoate is sourced from PubChem (CID 118892450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).