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

C14H20N2O3 — CID 43115804

IUPAC2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(CN)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11(14(17)16-6-8-18-9-7-16)19-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3
InChIKeyBPKFIAYIZPYYPS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds4

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

2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 43115804) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID43115804
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(CN)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11(14(17)16-6-8-18-9-7-16)19-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3
InChIKeyBPKFIAYIZPYYPS-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 63367920
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one
CID 59924430
2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906848
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one (CID 43115804) is 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is CC(Oc1ccc(CN)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BPKFIAYIZPYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(14(17)16-6-8-18-9-7-16)19-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one?
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43115804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).