1-phenylethyl 3-(ethylamino)butanoate

C14H21NO2 — CID 62828023

IUPAC1-phenylethyl 3-(ethylamino)butanoate
SMILESCCNC(C)CC(=O)OC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-11(2)10-14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyJYRRMJGQNMUQLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds6

About 1-phenylethyl 3-(ethylamino)butanoate

1-phenylethyl 3-(ethylamino)butanoate (PubChem CID 62828023) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenylethyl 3-(ethylamino)butanoate.

Molecular Properties

Compound Name1-phenylethyl 3-(ethylamino)butanoate
PubChem CID62828023
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenylethyl 3-(ethylamino)butanoate
SMILESCCNC(C)CC(=O)OC(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-11(2)10-14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyJYRRMJGQNMUQLT-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-(ethylamino)butanoate
CID 59005233
ethanol;1-phenylethyl propanoate
CID 175279617
methane;1-phenylethyl butanoate
CID 175131064
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
1-phenylethyl 3-anilinopropanoate
CID 61277472

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-(ethylamino)butanoate?
The IUPAC name of 1-phenylethyl 3-(ethylamino)butanoate (CID 62828023) is 1-phenylethyl 3-(ethylamino)butanoate.
What is the SMILES notation for 1-phenylethyl 3-(ethylamino)butanoate?
The canonical SMILES for 1-phenylethyl 3-(ethylamino)butanoate is CCNC(C)CC(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-(ethylamino)butanoate?
The InChIKey is JYRRMJGQNMUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-11(2)10-14(16)17-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3.
What are the key properties of 1-phenylethyl 3-(ethylamino)butanoate?
1-phenylethyl 3-(ethylamino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-(ethylamino)butanoate is sourced from PubChem (CID 62828023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).