1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride

C12H18Cl2N2O2 — CID 70180295

IUPAC1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
SMILESCC(=O)c1ccc(N2CCOCC2)cc1N.Cl.Cl
InChIInChI=1S/C12H16N2O2.2ClH/c1-9(15)11-3-2-10(8-12(11)13)14-4-6-16-7-5-14;;/h2-3,8H,4-7,13H2,1H3;2*1H
InChIKeyBWBQJPLABTYFMW-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride

1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride (PubChem CID 70180295) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
PubChem CID70180295
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
SMILESCC(=O)c1ccc(N2CCOCC2)cc1N.Cl.Cl
InChIInChI=1S/C12H16N2O2.2ClH/c1-9(15)11-3-2-10(8-12(11)13)14-4-6-16-7-5-14;;/h2-3,8H,4-7,13H2,1H3;2*1H
InChIKeyBWBQJPLABTYFMW-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
CID 58805152
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone
CID 102742841
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
1-[2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanone
CID 104528796
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride?
The IUPAC name of 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride (CID 70180295) is 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride?
The canonical SMILES for 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride is CC(=O)c1ccc(N2CCOCC2)cc1N.Cl.Cl.
What is the InChIKey of 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride?
The InChIKey is BWBQJPLABTYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.2ClH/c1-9(15)11-3-2-10(8-12(11)13)14-4-6-16-7-5-14;;/h2-3,8H,4-7,13H2,1H3;2*1H.
What are the key properties of 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride?
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride has a molecular weight of 293.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride is sourced from PubChem (CID 70180295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).