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

C16H24N2O2 — CID 62081726

IUPAC2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(CC(CN)C(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-3-4-14(13(2)9-12)10-15(11-17)16(19)18-5-7-20-8-6-18/h3-4,9,15H,5-8,10-11,17H2,1-2H3
InChIKeyLLWGJQNZZMKNSX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.28
Rot. Bonds4

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

2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 62081726) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID62081726
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(CC(CN)C(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-3-4-14(13(2)9-12)10-15(11-17)16(19)18-5-7-20-8-6-18/h3-4,9,15H,5-8,10-11,17H2,1-2H3
InChIKeyLLWGJQNZZMKNSX-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one
CID 81312958
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 114553858
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291
2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
CID 79971868
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293846
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 94693944

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one (CID 62081726) is 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one is Cc1ccc(CC(CN)C(=O)N2CCOCC2)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is LLWGJQNZZMKNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-3-4-14(13(2)9-12)10-15(11-17)16(19)18-5-7-20-8-6-18/h3-4,9,15H,5-8,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one?
2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 62081726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).