4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one

C15H21ClN2O2 — CID 119324084

IUPAC4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CCCN
InChIInChI=1S/C15H21ClN2O2/c1-11-10-20-14(12-5-2-3-6-13(12)16)9-18(11)15(19)7-4-8-17/h2-3,5-6,11,14H,4,7-10,17H2,1H3
InChIKeyUZJDLGASNBXFOG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one

4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one (PubChem CID 119324084) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
PubChem CID119324084
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CCCN
InChIInChI=1S/C15H21ClN2O2/c1-11-10-20-14(12-5-2-3-6-13(12)16)9-18(11)15(19)7-4-8-17/h2-3,5-6,11,14H,4,7-10,17H2,1H3
InChIKeyUZJDLGASNBXFOG-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 102556880
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538497
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86934595
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one (CID 119324084) is 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one is CC1COC(c2ccccc2Cl)CN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one?
The InChIKey is UZJDLGASNBXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-10-20-14(12-5-2-3-6-13(12)16)9-18(11)15(19)7-4-8-17/h2-3,5-6,11,14H,4,7-10,17H2,1H3.
What are the key properties of 4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one?
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.37, 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-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 119324084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).