3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one

C14H19NO3 — CID 60889535

IUPAC3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
SMILESCCC(NC)c1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-12(15-2)10-4-6-11(7-5-10)18-13-8-9-17-14(13)16/h4-7,12-13,15H,3,8-9H2,1-2H3
InChIKeyJUSKOODLKDXOHB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one

3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one (PubChem CID 60889535) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
PubChem CID60889535
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
SMILESCCC(NC)c1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-12(15-2)10-4-6-11(7-5-10)18-13-8-9-17-14(13)16/h4-7,12-13,15H,3,8-9H2,1-2H3
InChIKeyJUSKOODLKDXOHB-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one
CID 115496011
3-[2-[1-(ethylamino)propyl]phenoxy]oxolan-2-one
CID 60881343
3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one
CID 43280133
3-[4-(thiolan-1-ium-1-yl)phenoxy]oxolan-2-one
CID 59379029
3-(4-bromophenoxy)oxolan-2-one;methyl 2-(4-bromophenoxy)-4-hydroxybutanoate
CID 159914237
3-(3-methylphenoxy)oxolan-2-one
CID 71360233
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
3-[4-[[5-[2-[4-[1,1-bis[4-hydroxy-3,5-bis[[4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenyl]ethyl]phenyl]propan-2-yl]-2-hydroxy-3-[[4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenyl]methyl]phenoxy]oxolan-2-one
CID 58640870
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 112608577
[4-(2-oxooxan-3-yl)oxyphenyl]-diphenylsulfanium
CID 59379030

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one?
The IUPAC name of 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one (CID 60889535) is 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one.
What is the SMILES notation for 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one?
The canonical SMILES for 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one is CCC(NC)c1ccc(OC2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one?
The InChIKey is JUSKOODLKDXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-12(15-2)10-4-6-11(7-5-10)18-13-8-9-17-14(13)16/h4-7,12-13,15H,3,8-9H2,1-2H3.
What are the key properties of 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one?
3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one is sourced from PubChem (CID 60889535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).