2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one

C15H22N2O3 — CID 81203805

IUPAC2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESNCC(Cc1ccccc1)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H22N2O3/c16-9-13(8-12-4-2-1-3-5-12)15(19)17-6-7-20-14(10-17)11-18/h1-5,13-14,18H,6-11,16H2
InChIKeyUNCFHZGZOOPOMK-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.02
Rot. Bonds5

About 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one

2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 81203805) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID81203805
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESNCC(Cc1ccccc1)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H22N2O3/c16-9-13(8-12-4-2-1-3-5-12)15(19)17-6-7-20-14(10-17)11-18/h1-5,13-14,18H,6-11,16H2
InChIKeyUNCFHZGZOOPOMK-UHFFFAOYSA-N
XLogP0.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-[2-(hydroxymethyl)morpholin-4-yl]-3-oxopropanenitrile
CID 81203125
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 102956893
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
2-[4-(2-methylsulfonyl-3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 119247693
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957331
2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
CID 79971868

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one (CID 81203805) is 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one is NCC(Cc1ccccc1)C(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is UNCFHZGZOOPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-9-13(8-12-4-2-1-3-5-12)15(19)17-6-7-20-14(10-17)11-18/h1-5,13-14,18H,6-11,16H2.
What are the key properties of 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one?
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 81203805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).