2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone

C19H22FNO — CID 82101375

IUPAC2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CNCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-14(2)16-5-7-17(8-6-16)19(22)13-21-12-11-15-3-9-18(20)10-4-15/h3-10,14,21H,11-13H2,1-2H3
InChIKeyAMNWBXAFDQIUIY-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.96
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone

2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 82101375) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID82101375
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CNCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-14(2)16-5-7-17(8-6-16)19(22)13-21-12-11-15-3-9-18(20)10-4-15/h3-10,14,21H,11-13H2,1-2H3
InChIKeyAMNWBXAFDQIUIY-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(4-fluorophenyl)acetate
CID 9198812
1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 41096953
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone (CID 82101375) is 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CNCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is AMNWBXAFDQIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14(2)16-5-7-17(8-6-16)19(22)13-21-12-11-15-3-9-18(20)10-4-15/h3-10,14,21H,11-13H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 299.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82101375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).