2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone

C21H26N2O2 — CID 119806064

IUPAC2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
SMILESCc1ccc(C)c(C2CN(C(=O)Cc3ccc(N)cc3)C(C)CO2)c1
InChIInChI=1S/C21H26N2O2/c1-14-4-5-15(2)19(10-14)20-12-23(16(3)13-25-20)21(24)11-17-6-8-18(22)9-7-17/h4-10,16,20H,11-13,22H2,1-3H3
InChIKeyLSTNXZHWDFTGCL-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.42
Rot. Bonds3

About 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone

2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 119806064) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID119806064
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
SMILESCc1ccc(C)c(C2CN(C(=O)Cc3ccc(N)cc3)C(C)CO2)c1
InChIInChI=1S/C21H26N2O2/c1-14-4-5-15(2)19(10-14)20-12-23(16(3)13-25-20)21(24)11-17-6-8-18(22)9-7-17/h4-10,16,20H,11-13,22H2,1-3H3
InChIKeyLSTNXZHWDFTGCL-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119806076
[(2S,5R)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607190
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
CID 100640005
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone (CID 119806064) is 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone is Cc1ccc(C)c(C2CN(C(=O)Cc3ccc(N)cc3)C(C)CO2)c1.
What is the InChIKey of 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is LSTNXZHWDFTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-4-5-15(2)19(10-14)20-12-23(16(3)13-25-20)21(24)11-17-6-8-18(22)9-7-17/h4-10,16,20H,11-13,22H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone?
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 119806064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).