1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone

C13H17ClN2O3 — CID 42252620

IUPAC1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
SMILESNC[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H17ClN2O3/c14-10-1-3-11(4-2-10)19-9-13(17)16-5-6-18-12(7-15)8-16/h1-4,12H,5-9,15H2/t12-/m0/s1
InChIKeyNWJOGTYOYAZNJV-LBPRGKRZSA-N
MW284.74 g/mol
LogP0.90
Rot. Bonds4

About 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone

1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone (PubChem CID 42252620) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
PubChem CID42252620
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
SMILESNC[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H17ClN2O3/c14-10-1-3-11(4-2-10)19-9-13(17)16-5-6-18-12(7-15)8-16/h1-4,12H,5-9,15H2/t12-/m0/s1
InChIKeyNWJOGTYOYAZNJV-LBPRGKRZSA-N
XLogP0.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 46059766
2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
CID 154877226
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-4-(4-chlorophenoxy)butan-1-one
CID 74229061

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone?
The IUPAC name of 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone (CID 42252620) is 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone.
What is the SMILES notation for 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone?
The canonical SMILES for 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone is NC[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone?
The InChIKey is NWJOGTYOYAZNJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-1-3-11(4-2-10)19-9-13(17)16-5-6-18-12(7-15)8-16/h1-4,12H,5-9,15H2/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone?
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone has a molecular weight of 284.74 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone is sourced from PubChem (CID 42252620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).