1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one

C15H23NO2 — CID 116591634

IUPAC1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)14-6-4-13(5-7-14)10-15(17)11-16-8-9-18-3/h4-7,12,16H,8-11H2,1-3H3
InChIKeyMDGCTHRWQRLFAF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.16
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one

1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 116591634) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID116591634
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)14-6-4-13(5-7-14)10-15(17)11-16-8-9-18-3/h4-7,12,16H,8-11H2,1-3H3
InChIKeyMDGCTHRWQRLFAF-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one (CID 116591634) is 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one is COCCNCC(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is MDGCTHRWQRLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)14-6-4-13(5-7-14)10-15(17)11-16-8-9-18-3/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one?
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 116591634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).