2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone

C12H15ClN2O2 — CID 87771200

IUPAC2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone
SMILESNC1CN(C(Cl)C(=O)c2ccccc2)CCO1
InChIInChI=1S/C12H15ClN2O2/c13-12(15-6-7-17-10(14)8-15)11(16)9-4-2-1-3-5-9/h1-5,10,12H,6-8,14H2
InChIKeyBJNTXOWDNRSNCA-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone

2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone (PubChem CID 87771200) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone.

Molecular Properties

Compound Name2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone
PubChem CID87771200
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone
SMILESNC1CN(C(Cl)C(=O)c2ccccc2)CCO1
InChIInChI=1S/C12H15ClN2O2/c13-12(15-6-7-17-10(14)8-15)11(16)9-4-2-1-3-5-9/h1-5,10,12H,6-8,14H2
InChIKeyBJNTXOWDNRSNCA-UHFFFAOYSA-N
XLogP1.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
4-(2-aminomorpholin-4-yl)benzoic acid
CID 174676626
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
4-benzoyl-2-chloromorpholin-3-one
CID 19043816
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone?
The IUPAC name of 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone (CID 87771200) is 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone.
What is the SMILES notation for 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone?
The canonical SMILES for 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone is NC1CN(C(Cl)C(=O)c2ccccc2)CCO1.
What is the InChIKey of 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone?
The InChIKey is BJNTXOWDNRSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-12(15-6-7-17-10(14)8-15)11(16)9-4-2-1-3-5-9/h1-5,10,12H,6-8,14H2.
What are the key properties of 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone?
2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone has a molecular weight of 254.72 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminomorpholin-4-yl)-2-chloro-1-phenylethanone is sourced from PubChem (CID 87771200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).