2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride

C12H17ClN2O2 — CID 119337230

IUPAC2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C12H16N2O2.ClH/c13-8-12(15)14-6-7-16-9-11(14)10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKeyIKVBWBJAVYDABG-UHFFFAOYSA-N
MW256.73 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride

2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119337230) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID119337230
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C12H16N2O2.ClH/c13-8-12(15)14-6-7-16-9-11(14)10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKeyIKVBWBJAVYDABG-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
2-(2-fluorophenyl)-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728374
N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
1-(3-phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
2,3-dihydro-1-benzofuran-3-yl-(3-phenylmorpholin-4-yl)methanone
CID 71993262
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663868
2-(2-fluorophenoxy)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663877
2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110663852

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride (CID 119337230) is 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride is Cl.NCC(=O)N1CCOCC1c1ccccc1.
What is the InChIKey of 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is IKVBWBJAVYDABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-8-12(15)14-6-7-16-9-11(14)10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H.
What are the key properties of 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride?
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119337230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).