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

C15H21ClN2O2 — CID 80543163

IUPAC4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11(6-7-17)15(19)18-8-9-20-14(10-18)12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3
InChIKeyZDEVWCZPKOZHIN-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.22
Rot. Bonds4

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

4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one (PubChem CID 80543163) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
PubChem CID80543163
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11(6-7-17)15(19)18-8-9-20-14(10-18)12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3
InChIKeyZDEVWCZPKOZHIN-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
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-[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
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
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-propylmorpholine-4-carboxamide
CID 47326521

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one (CID 80543163) is 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one is CC(CCN)C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The InChIKey is ZDEVWCZPKOZHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(6-7-17)15(19)18-8-9-20-14(10-18)12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3.
What are the key properties of 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one is sourced from PubChem (CID 80543163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).