ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate

C15H23NO2 — CID 90146756

IUPACethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
SMILESCCCCN(C)c1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15(17)18-5-2/h7-10H,4-6,11-12H2,1-3H3
InChIKeyQNMFSYIHEWSGPN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds7

About ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate

ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate (PubChem CID 90146756) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
PubChem CID90146756
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
SMILESCCCCN(C)c1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15(17)18-5-2/h7-10H,4-6,11-12H2,1-3H3
InChIKeyQNMFSYIHEWSGPN-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N,4-dibutyl-N-methylaniline
CID 118183375
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
ethyl 2-[4-[(2-cyanophenyl)methyl-methylamino]phenyl]acetate
CID 23333579
N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
CID 112985317
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
ethyl 2-phenylacetate
CID 7590
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate (CID 90146756) is ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate is CCCCN(C)c1ccc(CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate?
The InChIKey is QNMFSYIHEWSGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15(17)18-5-2/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate?
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate has a molecular weight of 249.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate is sourced from PubChem (CID 90146756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).