ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate

C15H23NO2 — CID 11334178

IUPACethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)10-16-11-15(3,4)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3
InChIKeyGIDCUCUYDLBGSZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate

ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate (PubChem CID 11334178) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
PubChem CID11334178
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-5-18-14(17)10-16-11-15(3,4)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3
InChIKeyGIDCUCUYDLBGSZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
CID 119757019
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
CID 115233215
ethyl 3-[(2-methyl-2-phenylpropyl)amino]-3-oxopropanoate
CID 115138677
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate (CID 11334178) is ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate is CCOC(=O)CNCC(C)(C)c1cccc(C)c1.
What is the InChIKey of ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate?
The InChIKey is GIDCUCUYDLBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-14(17)10-16-11-15(3,4)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate?
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate has a molecular weight of 249.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate is sourced from PubChem (CID 11334178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).