2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C16H22ClNO2 — CID 106867043

IUPAC2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1ccc(CC(=O)C2CN(C(C)C)CCO2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-11(2)18-6-7-20-16(10-18)15(19)9-13-5-4-12(3)8-14(13)17/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyQZMBAEAMSPRSCU-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 106867043) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID106867043
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1ccc(CC(=O)C2CN(C(C)C)CCO2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-11(2)18-6-7-20-16(10-18)15(19)9-13-5-4-12(3)8-14(13)17/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyQZMBAEAMSPRSCU-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 113454527
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 107512705
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79826140
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79663777

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 106867043) is 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is Cc1ccc(CC(=O)C2CN(C(C)C)CCO2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is QZMBAEAMSPRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)18-6-7-20-16(10-18)15(19)9-13-5-4-12(3)8-14(13)17/h4-5,8,11,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 106867043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).