2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone

C13H18N2O3 — CID 81203547

IUPAC2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCOC(CO)C1)c1ccccc1
InChIInChI=1S/C13H18N2O3/c14-12(10-4-2-1-3-5-10)13(17)15-6-7-18-11(8-15)9-16/h1-5,11-12,16H,6-9,14H2
InChIKeyRBZZLPQAQWMTAL-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.09
Rot. Bonds3

About 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone

2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone (PubChem CID 81203547) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
PubChem CID81203547
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCOC(CO)C1)c1ccccc1
InChIInChI=1S/C13H18N2O3/c14-12(10-4-2-1-3-5-10)13(17)15-6-7-18-11(8-15)9-16/h1-5,11-12,16H,6-9,14H2
InChIKeyRBZZLPQAQWMTAL-UHFFFAOYSA-N
XLogP-0.09
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81203805
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106591659
phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
2-benzyl-3-[2-(hydroxymethyl)morpholin-4-yl]-3-oxopropanenitrile
CID 81203125
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone (CID 81203547) is 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone is NC(C(=O)N1CCOC(CO)C1)c1ccccc1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone?
The InChIKey is RBZZLPQAQWMTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12(10-4-2-1-3-5-10)13(17)15-6-7-18-11(8-15)9-16/h1-5,11-12,16H,6-9,14H2.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone?
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone has a molecular weight of 250.30 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 81203547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).