2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one

C16H24N2O3 — CID 63367920

IUPAC2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC[C@H](N)c1ccc(OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-15(17)13-4-6-14(7-5-13)21-12(2)16(19)18-8-10-20-11-9-18/h4-7,12,15H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1
InChIKeyVFBYEJIKQVJRFE-CVRLYYSRSA-N
MW292.38 g/mol
LogP1.72
Rot. Bonds5

About 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one

2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 63367920) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID63367920
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC[C@H](N)c1ccc(OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-15(17)13-4-6-14(7-5-13)21-12(2)16(19)18-8-10-20-11-9-18/h4-7,12,15H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1
InChIKeyVFBYEJIKQVJRFE-CVRLYYSRSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
CID 56922571
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one (CID 63367920) is 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one is CC[C@H](N)c1ccc(OC(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VFBYEJIKQVJRFE-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-15(17)13-4-6-14(7-5-13)21-12(2)16(19)18-8-10-20-11-9-18/h4-7,12,15H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one?
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63367920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).