1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

C16H23NO2 — CID 79044813

IUPAC1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)(C)N2CCOCC2)c1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)15(18)16(3,4)17-8-10-19-11-9-17/h5-7H,8-11H2,1-4H3
InChIKeyMTPDVPFSNIQVKA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.60
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 79044813) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID79044813
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)(C)N2CCOCC2)c1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)15(18)16(3,4)17-8-10-19-11-9-17/h5-7H,8-11H2,1-4H3
InChIKeyMTPDVPFSNIQVKA-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodo-2-methylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 67996389
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114970123
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
1-(4-bromothiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79595295
1-(2,3-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 91656526
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
3-(2-methylphenyl)-3-morpholin-4-ylbutanoic acid
CID 64527538
1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 166665055

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 79044813) is 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is Cc1cccc(C(=O)C(C)(C)N2CCOCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is MTPDVPFSNIQVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)15(18)16(3,4)17-8-10-19-11-9-17/h5-7H,8-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79044813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).