tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate

C16H25NO3 — CID 81463582

IUPACtert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
SMILESCOc1cc(C)ccc1C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-11-7-8-13(14(9-11)19-6)12(2)17-10-15(18)20-16(3,4)5/h7-9,12,17H,10H2,1-6H3
InChIKeyFBBZURHXWQCIGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.00
Rot. Bonds5

About tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate

tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate (PubChem CID 81463582) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
PubChem CID81463582
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
SMILESCOc1cc(C)ccc1C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-11-7-8-13(14(9-11)19-6)12(2)17-10-15(18)20-16(3,4)5/h7-9,12,17H,10H2,1-6H3
InChIKeyFBBZURHXWQCIGX-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
CID 103781132
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
tert-butyl 2-[1-(2-bromo-4-fluorophenyl)ethylamino]acetate
CID 103917117
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43778162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate?
The IUPAC name of tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate (CID 81463582) is tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate is COc1cc(C)ccc1C(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate?
The InChIKey is FBBZURHXWQCIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-7-8-13(14(9-11)19-6)12(2)17-10-15(18)20-16(3,4)5/h7-9,12,17H,10H2,1-6H3.
What are the key properties of tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate?
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate has a molecular weight of 279.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate is sourced from PubChem (CID 81463582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).