3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one

C15H21NO3 — CID 60881343

IUPAC3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one
SMILESCCNC(CC)c1ccccc1OC1CCOC1=O
InChIInChI=1S/C15H21NO3/c1-3-12(16-4-2)11-7-5-6-8-13(11)19-14-9-10-18-15(14)17/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeyVHKKTUWMBWIKBP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds6

About 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one

3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one (PubChem CID 60881343) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one
PubChem CID60881343
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one
SMILESCCNC(CC)c1ccccc1OC1CCOC1=O
InChIInChI=1S/C15H21NO3/c1-3-12(16-4-2)11-7-5-6-8-13(11)19-14-9-10-18-15(14)17/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeyVHKKTUWMBWIKBP-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
CID 60889535
ethane;3-(2-nitrophenoxy)oxolan-2-one
CID 91158220
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one?
The IUPAC name of 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one (CID 60881343) is 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one.
What is the SMILES notation for 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one?
The canonical SMILES for 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one is CCNC(CC)c1ccccc1OC1CCOC1=O.
What is the InChIKey of 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one?
The InChIKey is VHKKTUWMBWIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12(16-4-2)11-7-5-6-8-13(11)19-14-9-10-18-15(14)17/h5-8,12,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one?
3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one is sourced from PubChem (CID 60881343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).