4-(ethylamino)pentan-2-yl benzoate

C14H21NO2 — CID 90020670

IUPAC4-(ethylamino)pentan-2-yl benzoate
SMILESCCNC(C)CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-11(2)10-12(3)17-14(16)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyNVOFFVUYZPGPIC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds6

About 4-(ethylamino)pentan-2-yl benzoate

4-(ethylamino)pentan-2-yl benzoate (PubChem CID 90020670) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(ethylamino)pentan-2-yl benzoate.

Molecular Properties

Compound Name4-(ethylamino)pentan-2-yl benzoate
PubChem CID90020670
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(ethylamino)pentan-2-yl benzoate
SMILESCCNC(C)CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-11(2)10-12(3)17-14(16)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyNVOFFVUYZPGPIC-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
4,4-dimethoxybutan-2-yl benzoate
CID 10657559
[(2S)-pentan-2-yl] benzoate
CID 101019298
4-(2-oxo-2-phenylacetyl)oxypentan-2-yl benzoate
CID 90416875
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
(5-hydroxy-5-methylhexan-2-yl) benzoate
CID 154709483
5-benzoyloxyheptan-2-yl benzoate
CID 21302116
[(2R,4S,6S,8S)-4,6,8-trimethyltetracosan-2-yl] benzoate
CID 122231048
1-aminopropyl benzoate;copper
CID 70588917
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)pentan-2-yl benzoate?
The IUPAC name of 4-(ethylamino)pentan-2-yl benzoate (CID 90020670) is 4-(ethylamino)pentan-2-yl benzoate.
What is the SMILES notation for 4-(ethylamino)pentan-2-yl benzoate?
The canonical SMILES for 4-(ethylamino)pentan-2-yl benzoate is CCNC(C)CC(C)OC(=O)c1ccccc1.
What is the InChIKey of 4-(ethylamino)pentan-2-yl benzoate?
The InChIKey is NVOFFVUYZPGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-11(2)10-12(3)17-14(16)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3.
What are the key properties of 4-(ethylamino)pentan-2-yl benzoate?
4-(ethylamino)pentan-2-yl benzoate has a molecular weight of 235.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)pentan-2-yl benzoate is sourced from PubChem (CID 90020670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).