1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one

C15H22FNO — CID 59670824

IUPAC1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCCNCC(C(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-5-17-10-13(14(18)15(2,3)4)11-6-8-12(16)9-7-11/h6-9,13,17H,5,10H2,1-4H3
InChIKeyCPHOAQHPHPLYIC-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.13
Rot. Bonds5

About 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one

1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one (PubChem CID 59670824) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one
PubChem CID59670824
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCCNCC(C(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-5-17-10-13(14(18)15(2,3)4)11-6-8-12(16)9-7-11/h6-9,13,17H,5,10H2,1-4H3
InChIKeyCPHOAQHPHPLYIC-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
4-tert-butylsulfonyl-N-ethyl-2-(4-fluorophenyl)butan-1-amine
CID 106730134
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
CID 147045544
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335
methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010
N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
CID 110615037
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one (CID 59670824) is 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one is CCNCC(C(=O)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one?
The InChIKey is CPHOAQHPHPLYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-17-10-13(14(18)15(2,3)4)11-6-8-12(16)9-7-11/h6-9,13,17H,5,10H2,1-4H3.
What are the key properties of 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one?
1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one has a molecular weight of 251.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 59670824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).