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

C16H23ClN2O2 — CID 104684562

IUPAC5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-12(3-2-8-18)16(20)19-9-10-21-15(11-19)13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,18H2,1H3
InChIKeyUOYZUNBZCUDDJP-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.61
Rot. Bonds5

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

5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one (PubChem CID 104684562) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
PubChem CID104684562
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-12(3-2-8-18)16(20)19-9-10-21-15(11-19)13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,18H2,1H3
InChIKeyUOYZUNBZCUDDJP-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one (CID 104684562) is 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one?
The InChIKey is UOYZUNBZCUDDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12(3-2-8-18)16(20)19-9-10-21-15(11-19)13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,18H2,1H3.
What are the key properties of 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one?
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one has a molecular weight of 310.82 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104684562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).