2-[benzyl(methyl)amino]ethyl 4-methylbenzoate

C18H21NO2 — CID 2175056

IUPAC2-[benzyl(methyl)amino]ethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-8-10-17(11-9-15)18(20)21-13-12-19(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyJNTJJWHHRZCUHI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate

2-[benzyl(methyl)amino]ethyl 4-methylbenzoate (PubChem CID 2175056) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]ethyl 4-methylbenzoate
PubChem CID2175056
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[benzyl(methyl)amino]ethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-8-10-17(11-9-15)18(20)21-13-12-19(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyJNTJJWHHRZCUHI-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzoic acid 2-morpholin-4-yl-ethyl ester
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CID 197768
Elucaine
CID 32331
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate?
The IUPAC name of 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate (CID 2175056) is 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate.
What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate?
The canonical SMILES for 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate is Cc1ccc(C(=O)OCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate?
The InChIKey is JNTJJWHHRZCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-15-8-10-17(11-9-15)18(20)21-13-12-19(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate?
2-[benzyl(methyl)amino]ethyl 4-methylbenzoate has a molecular weight of 283.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]ethyl 4-methylbenzoate is sourced from PubChem (CID 2175056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).