N-(Ethoxycarbonylmethyl)-1-(2'-Methylphenyl)Ethylamine

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Basic information

CAS: 167781-51-3
Standard SMILES: CCOC(=O)CNC(C)c1ccccc1C
InChIKey: HEOALJFHYCBFGO-UHFFFAOYSA-N
Molecular formula: C13H19NO2
Average molar mass: 221.29 g/mol
Monoisotopic mass: 221.14157885

Names & identifiers

Preferred name: N-(Ethoxycarbonylmethyl)-1-(2'-Methylphenyl)Ethylamine
IUPAC: ethyl 2-[1-(2-methylphenyl)ethylamino]acetate

Names & synonyms

SCHEMBL7824806N-(Ethoxycarbonylmethyl)-1-(2'-Methylphenyl)EthylamineHEOALJFHYCBFGO-UHFFFAOYSA-NDTXSID501227296AKOS009050702167781-51-3Ethyl N-[1-(2-methylphenyl)ethyl]glycinateGlycine, N-[1-(2-methylphenyl)ethyl]-, ethyl ester

Database identifiers

CAS: 167781-51-3
PubChem CID: 21476429
DTXSID: DTXSID501227296

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 218

Related reactions

1 records

New reaction record

HRID 2293134As reactantuspto-grants-1997_11

Compound notes

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