ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate

C18H21NO2 — CID 175503495

IUPACethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)12-15-7-9-17(10-8-15)19-13-16-6-4-5-14(2)11-16/h4-11,19H,3,12-13H2,1-2H3
InChIKeyGWOJDGKENCXRAF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.71
Rot. Bonds6

About ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate

ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate (PubChem CID 175503495) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
PubChem CID175503495
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)12-15-7-9-17(10-8-15)19-13-16-6-4-5-14(2)11-16/h4-11,19H,3,12-13H2,1-2H3
InChIKeyGWOJDGKENCXRAF-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
ethyl 2-phenylacetate
CID 7590
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
[3-[(3-methylphenyl)methylamino]phenyl] acetate
CID 82533297
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate (CID 175503495) is ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NCc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate?
The InChIKey is GWOJDGKENCXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-18(20)12-15-7-9-17(10-8-15)19-13-16-6-4-5-14(2)11-16/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate?
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate has a molecular weight of 283.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate is sourced from PubChem (CID 175503495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).