2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone

C15H21NO2 — CID 43219459

IUPAC2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CCOCC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-8-13(3)14(9-12(11)2)15(17)10-16-4-6-18-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeySXJQWCMZNOXGMD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.13
Rot. Bonds3

About 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone

2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43219459) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43219459
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CCOCC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-8-13(3)14(9-12(11)2)15(17)10-16-4-6-18-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeySXJQWCMZNOXGMD-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797246
2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797605
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
CID 82053093
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
CID 82051495
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone (CID 43219459) is 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN2CCOCC2)cc1C.
What is the InChIKey of 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is SXJQWCMZNOXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-13(3)14(9-12(11)2)15(17)10-16-4-6-18-7-5-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone?
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43219459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).