methyl 3-(ethylamino)-3-phenylhexanoate

C15H23NO2 — CID 65235194

IUPACmethyl 3-(ethylamino)-3-phenylhexanoate
SMILESCCCC(CC(=O)OC)(NCC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-11-15(16-5-2,12-14(17)18-3)13-9-7-6-8-10-13/h6-10,16H,4-5,11-12H2,1-3H3
InChIKeyFUJUJSCIJKXLNN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds7

About methyl 3-(ethylamino)-3-phenylhexanoate

methyl 3-(ethylamino)-3-phenylhexanoate (PubChem CID 65235194) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-phenylhexanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-phenylhexanoate
PubChem CID65235194
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 3-(ethylamino)-3-phenylhexanoate
SMILESCCCC(CC(=O)OC)(NCC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-11-15(16-5-2,12-14(17)18-3)13-9-7-6-8-10-13/h6-10,16H,4-5,11-12H2,1-3H3
InChIKeyFUJUJSCIJKXLNN-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
methyl 4-amino-3-phenyl-3-propylhexanoate
CID 66097736
methyl 2-(tritylamino)acetate
CID 637611
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
CID 65236066
N-ethyl-3-phenylpentan-3-amine;octadecanamide;hydrochloride
CID 174665046
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-phenylhexanoate?
The IUPAC name of methyl 3-(ethylamino)-3-phenylhexanoate (CID 65235194) is methyl 3-(ethylamino)-3-phenylhexanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-phenylhexanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-phenylhexanoate is CCCC(CC(=O)OC)(NCC)c1ccccc1.
What is the InChIKey of methyl 3-(ethylamino)-3-phenylhexanoate?
The InChIKey is FUJUJSCIJKXLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-11-15(16-5-2,12-14(17)18-3)13-9-7-6-8-10-13/h6-10,16H,4-5,11-12H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-3-phenylhexanoate?
methyl 3-(ethylamino)-3-phenylhexanoate has a molecular weight of 249.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-phenylhexanoate is sourced from PubChem (CID 65235194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).