1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone

C12H17FN2O — CID 96659527

IUPAC1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O/c1-3-15(4-2)8-12(16)9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,14H2,1-2H3
InChIKeyBJNOVASDSVNTPN-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.93
Rot. Bonds5

About 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone

1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone (PubChem CID 96659527) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
PubChem CID96659527
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O/c1-3-15(4-2)8-12(16)9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,14H2,1-2H3
InChIKeyBJNOVASDSVNTPN-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
propyl 3-amino-4-fluorobenzoate
CID 60834719
methoxymethyl 3-amino-4-fluorobenzoate
CID 65364698
bis(2-(diethylamino)-1-[8-[2-(diethylamino)acetyl]dibenzofuran-2-yl]ethanone);hydrate;tetrahydrochloride
CID 131711466
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
4-(3-amino-4-fluorophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94269958
ethyl (Z)-3-(3-amino-4-fluorophenyl)-2-methylbut-2-enoate
CID 58288185
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
2-(diethylamino)-1-[6-[2-(diethylamino)acetyl]-9H-xanthen-2-yl]ethanone
CID 54369221

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone (CID 96659527) is 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone is CCN(CC)CC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone?
The InChIKey is BJNOVASDSVNTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-15(4-2)8-12(16)9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,14H2,1-2H3.
What are the key properties of 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone?
1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone has a molecular weight of 224.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone is sourced from PubChem (CID 96659527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).