2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone

C15H21ClN2O3 — CID 111487350

IUPAC2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-17(11-15(20)18-5-7-21-8-6-18)10-14(19)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11H2,1H3
InChIKeyHSIWSLHTTMBDPS-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.16
Rot. Bonds5

About 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone

2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone (PubChem CID 111487350) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
PubChem CID111487350
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-17(11-15(20)18-5-7-21-8-6-18)10-14(19)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11H2,1H3
InChIKeyHSIWSLHTTMBDPS-UHFFFAOYSA-N
XLogP1.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60559067
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-morpholin-4-ylethanone
CID 62013792
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone (CID 111487350) is 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)CC(O)c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is HSIWSLHTTMBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-17(11-15(20)18-5-7-21-8-6-18)10-14(19)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone?
2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 312.80 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 111487350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).