3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one

C16H24N2O2 — CID 126789841

IUPAC3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCc1ccccc1C1CN(C(=O)CC(C)(C)N)CCO1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-13(12)14-11-18(8-9-20-14)15(19)10-16(2,3)17/h4-7,14H,8-11,17H2,1-3H3
InChIKeyDKELALUBWKAKHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds3

About 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one

3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one (PubChem CID 126789841) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
PubChem CID126789841
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCc1ccccc1C1CN(C(=O)CC(C)(C)N)CCO1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-13(12)14-11-18(8-9-20-14)15(19)10-16(2,3)17/h4-7,14H,8-11,17H2,1-3H3
InChIKeyDKELALUBWKAKHK-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507
(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 124595664
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 99858293

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one (CID 126789841) is 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one is Cc1ccccc1C1CN(C(=O)CC(C)(C)N)CCO1.
What is the InChIKey of 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The InChIKey is DKELALUBWKAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-4-5-7-13(12)14-11-18(8-9-20-14)15(19)10-16(2,3)17/h4-7,14H,8-11,17H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 126789841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).