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

C21H26N2O2 — CID 125120344

IUPAC3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCc1ccccc1[C@H]1CN(C(=O)CCc2ccccc2N)[C@H](C)CO1
InChIInChI=1S/C21H26N2O2/c1-15-7-3-5-9-18(15)20-13-23(16(2)14-25-20)21(24)12-11-17-8-4-6-10-19(17)22/h3-10,16,20H,11-14,22H2,1-2H3/t16-,20-/m1/s1
InChIKeyOZQWNDSUDWMWEM-OXQOHEQNSA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds4

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

3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one (PubChem CID 125120344) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
PubChem CID125120344
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCc1ccccc1[C@H]1CN(C(=O)CCc2ccccc2N)[C@H](C)CO1
InChIInChI=1S/C21H26N2O2/c1-15-7-3-5-9-18(15)20-13-23(16(2)14-25-20)21(24)12-11-17-8-4-6-10-19(17)22/h3-10,16,20H,11-14,22H2,1-2H3/t16-,20-/m1/s1
InChIKeyOZQWNDSUDWMWEM-OXQOHEQNSA-N
XLogP3.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
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
(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
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97072789
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
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one (CID 125120344) is 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one is Cc1ccccc1[C@H]1CN(C(=O)CCc2ccccc2N)[C@H](C)CO1.
What is the InChIKey of 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The InChIKey is OZQWNDSUDWMWEM-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-3-5-9-18(15)20-13-23(16(2)14-25-20)21(24)12-11-17-8-4-6-10-19(17)22/h3-10,16,20H,11-14,22H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125120344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).