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

C15H23NO2 — CID 60679878

IUPACtert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
SMILESCc1ccccc1C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-10-14(17)18-15(3,4)5/h6-9,12,16H,10H2,1-5H3
InChIKeyDPJMJOHMYCVSLO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds4

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

tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate (PubChem CID 60679878) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
PubChem CID60679878
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
SMILESCc1ccccc1C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-10-14(17)18-15(3,4)5/h6-9,12,16H,10H2,1-5H3
InChIKeyDPJMJOHMYCVSLO-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
N-(2-methylbutan-2-yl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60674187
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
CID 67722404
2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 104930531
tert-butyl 2-[1-(2-bromo-4-fluorophenyl)ethylamino]acetate
CID 103917117
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940560
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate?
The IUPAC name of tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate (CID 60679878) is tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate is Cc1ccccc1C(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate?
The InChIKey is DPJMJOHMYCVSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-6-7-9-13(11)12(2)16-10-14(17)18-15(3,4)5/h6-9,12,16H,10H2,1-5H3.
What are the key properties of tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate?
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate has a molecular weight of 249.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate is sourced from PubChem (CID 60679878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).