2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone

C13H18N2O2 — CID 117115575

IUPAC2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10-2-3-11(13(16)9-14)12(8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyVVLICFVYPPGINY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone

2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone (PubChem CID 117115575) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
PubChem CID117115575
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)c(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10-2-3-11(13(16)9-14)12(8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyVVLICFVYPPGINY-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-methyl-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62973944
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone (CID 117115575) is 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone is Cc1ccc(C(=O)CN)c(N2CCOCC2)c1.
What is the InChIKey of 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone?
The InChIKey is VVLICFVYPPGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-2-3-11(13(16)9-14)12(8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone?
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 117115575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).