2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone

C14H20FNO — CID 43795891

IUPAC2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1cccc(F)c1)CC(C)C
InChIInChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXJKZRQSDQYCXIO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.99
Rot. Bonds6

About 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone

2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone (PubChem CID 43795891) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
PubChem CID43795891
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1cccc(F)c1)CC(C)C
InChIInChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXJKZRQSDQYCXIO-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Monomethylpropion
CID 1576
Tolperisone Hydrochloride
CID 92965
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone (CID 43795891) is 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone is CCN(CC(=O)c1cccc(F)c1)CC(C)C.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone?
The InChIKey is XJKZRQSDQYCXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone?
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone has a molecular weight of 237.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 43795891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).