3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one

C15H22N2O2 — CID 124596139

IUPAC3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1CN(C(=O)CCN)[C@H](C)CO1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)14-9-17(12(2)10-19-14)15(18)7-8-16/h3-6,12,14H,7-10,16H2,1-2H3/t12-,14+/m1/s1
InChIKeyVBWJZMQXVUUYKV-OCCSQVGLSA-N
MW262.35 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one

3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one (PubChem CID 124596139) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
PubChem CID124596139
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1CN(C(=O)CCN)[C@H](C)CO1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)14-9-17(12(2)10-19-14)15(18)7-8-16/h3-6,12,14H,7-10,16H2,1-2H3/t12-,14+/m1/s1
InChIKeyVBWJZMQXVUUYKV-OCCSQVGLSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97072789
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one (CID 124596139) is 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one is Cc1ccccc1[C@@H]1CN(C(=O)CCN)[C@H](C)CO1.
What is the InChIKey of 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The InChIKey is VBWJZMQXVUUYKV-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)14-9-17(12(2)10-19-14)15(18)7-8-16/h3-6,12,14H,7-10,16H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124596139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).