1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one

C14H18ClNO2 — CID 110326823

IUPAC1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
SMILESCCCC(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO2/c1-2-5-14(17)16-8-9-18-13(10-16)11-6-3-4-7-12(11)15/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyRKGDWCAXLQMCTL-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one

1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one (PubChem CID 110326823) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
PubChem CID110326823
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
SMILESCCCC(=O)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO2/c1-2-5-14(17)16-8-9-18-13(10-16)11-6-3-4-7-12(11)15/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyRKGDWCAXLQMCTL-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
2-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591715
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one (CID 110326823) is 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one is CCCC(=O)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one?
The InChIKey is RKGDWCAXLQMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-5-14(17)16-8-9-18-13(10-16)11-6-3-4-7-12(11)15/h3-4,6-7,13H,2,5,8-10H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one?
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one has a molecular weight of 267.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 110326823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).