tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate

C15H23NO2 — CID 62313916

IUPACtert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
SMILESCc1cccc(CCNCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-13(10-12)8-9-16-11-14(17)18-15(2,3)4/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeyMFPXTQHWFCWYOR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate

tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate (PubChem CID 62313916) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
PubChem CID62313916
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
SMILESCc1cccc(CCNCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-13(10-12)8-9-16-11-14(17)18-15(2,3)4/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeyMFPXTQHWFCWYOR-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
tert-butyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]acetate
CID 14036483
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
(Z)-3-chloro-2-methyl-N-[2-(3-methylphenyl)ethyl]prop-2-en-1-amine
CID 106437692
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate (CID 62313916) is tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate is Cc1cccc(CCNCC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate?
The InChIKey is MFPXTQHWFCWYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-5-7-13(10-12)8-9-16-11-14(17)18-15(2,3)4/h5-7,10,16H,8-9,11H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate?
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate has a molecular weight of 249.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate is sourced from PubChem (CID 62313916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).