2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate

C16H25NO2 — CID 82533439

IUPAC2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
SMILESCCc1ccc(CNCCOC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)12-17-10-11-19-15(18)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyZTKJSBVZFMHTQG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate

2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate (PubChem CID 82533439) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
PubChem CID82533439
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
SMILESCCc1ccc(CNCCOC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)12-17-10-11-19-15(18)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyZTKJSBVZFMHTQG-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
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

2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
2-[(2,4-difluorophenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82532966
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
2-(benzylamino)ethyl propanoate
CID 10988499
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
CID 143202067
2-[[4-(dimethylamino)phenyl]methylamino]ethyl acetate
CID 82533397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate (CID 82533439) is 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate is CCc1ccc(CNCCOC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate?
The InChIKey is ZTKJSBVZFMHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)12-17-10-11-19-15(18)16(2,3)4/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate?
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate has a molecular weight of 263.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 82533439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).