2-[(4-ethylphenyl)methylamino]ethyl acetate

C13H19NO2 — CID 82533444

IUPAC2-[(4-ethylphenyl)methylamino]ethyl acetate
SMILESCCc1ccc(CNCCOC(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-3-12-4-6-13(7-5-12)10-14-8-9-16-11(2)15/h4-7,14H,3,8-10H2,1-2H3
InChIKeyHDKWMCPYUYQZHU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]ethyl acetate

2-[(4-ethylphenyl)methylamino]ethyl acetate (PubChem CID 82533444) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]ethyl acetate
PubChem CID82533444
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(4-ethylphenyl)methylamino]ethyl acetate
SMILESCCc1ccc(CNCCOC(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-3-12-4-6-13(7-5-12)10-14-8-9-16-11(2)15/h4-7,14H,3,8-10H2,1-2H3
InChIKeyHDKWMCPYUYQZHU-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
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-(dimethylamino)phenyl]methylamino]ethyl acetate
CID 82533397
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82533439
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
2-(benzylamino)ethyl propanoate
CID 10988499
2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
2-[(4-fluorophenyl)methylamino]ethyl pentanoate
CID 82533215
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
2-(acetyloxymethylamino)ethyl acetate
CID 87473445
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]ethyl acetate?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]ethyl acetate (CID 82533444) is 2-[(4-ethylphenyl)methylamino]ethyl acetate.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]ethyl acetate?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]ethyl acetate is CCc1ccc(CNCCOC(C)=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]ethyl acetate?
The InChIKey is HDKWMCPYUYQZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-12-4-6-13(7-5-12)10-14-8-9-16-11(2)15/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 2-[(4-ethylphenyl)methylamino]ethyl acetate?
2-[(4-ethylphenyl)methylamino]ethyl acetate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 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 acetate is sourced from PubChem (CID 82533444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).