1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one

C15H20ClNO2 — CID 81210940

IUPAC1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(CCl)C1
InChIInChI=1S/C15H20ClNO2/c16-11-14-12-17(9-10-19-14)15(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyZHIACQYVHKIHFQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one

1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one (PubChem CID 81210940) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
PubChem CID81210940
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(CCl)C1
InChIInChI=1S/C15H20ClNO2/c16-11-14-12-17(9-10-19-14)15(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyZHIACQYVHKIHFQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one (CID 81210940) is 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCOC(CCl)C1.
What is the InChIKey of 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The InChIKey is ZHIACQYVHKIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-11-14-12-17(9-10-19-14)15(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one?
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 81210940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).