5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one

C15H21ClN2O2 — CID 95358094

IUPAC5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c16-13-6-4-12(5-7-13)14-11-18(9-10-20-14)15(19)3-1-2-8-17/h4-7,14H,1-3,8-11,17H2/t14-/m0/s1
InChIKeySFJMYOSOZIUQGZ-AWEZNQCLSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds5

About 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one

5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one (PubChem CID 95358094) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
PubChem CID95358094
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c16-13-6-4-12(5-7-13)14-11-18(9-10-20-14)15(19)3-1-2-8-17/h4-7,14H,1-3,8-11,17H2/t14-/m0/s1
InChIKeySFJMYOSOZIUQGZ-AWEZNQCLSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 94393017
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one (CID 95358094) is 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one is NCCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
The InChIKey is SFJMYOSOZIUQGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-6-4-12(5-7-13)14-11-18(9-10-20-14)15(19)3-1-2-8-17/h4-7,14H,1-3,8-11,17H2/t14-/m0/s1.
What are the key properties of 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one?
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 95358094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).