2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one

C12H16FNO — CID 116592648

IUPAC2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
SMILESCCC(N)(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-12(14,4-2)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4,14H2,1-2H3
InChIKeyPMIRWSDWAKWTED-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one

2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one (PubChem CID 116592648) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
PubChem CID116592648
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
SMILESCCC(N)(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-12(14,4-2)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4,14H2,1-2H3
InChIKeyPMIRWSDWAKWTED-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diamino-3-ethyl-1,4-bis(4-fluorophenyl)butane-1,4-dione
CID 141384133
2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
CID 116592692
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
CID 116747607
ethyl 3-(4-fluorophenyl)-2,2-dihydroxy-3-oxopropanoate
CID 171482605
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
CID 10220288
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
chloromethane;4-fluorobenzamide
CID 158476805
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one (CID 116592648) is 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one is CCC(N)(CC)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one?
The InChIKey is PMIRWSDWAKWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-12(14,4-2)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one?
2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 116592648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).