ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate

C13H20N2O2 — CID 24689241

IUPACethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1ccc(C)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)15-12(8-14)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyWKCSAYSVBQZJAR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds4

About ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate

ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate (PubChem CID 24689241) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate
PubChem CID24689241
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1ccc(C)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)15-12(8-14)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyWKCSAYSVBQZJAR-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate
CID 24689005
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
ethyl 2-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]sulfanylacetate
CID 64614375
methyl 2-bromo-2-(2,4-dimethylphenyl)acetate
CID 23510843
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate (CID 24689241) is ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate is CCOC(=O)NC(CN)c1ccc(C)cc1C.
What is the InChIKey of ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate?
The InChIKey is WKCSAYSVBQZJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-13(16)15-12(8-14)11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate?
ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-1-(2,4-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 24689241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).