4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one

C14H20FNO — CID 105376567

IUPAC4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C14H20FNO/c1-4-16-11(3)7-14(17)9-12-8-13(15)6-5-10(12)2/h5-6,8,11,16H,4,7,9H2,1-3H3
InChIKeyBRLMNEKIKRWCSG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.63
Rot. Bonds6

About 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one

4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one (PubChem CID 105376567) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
PubChem CID105376567
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C14H20FNO/c1-4-16-11(3)7-14(17)9-12-8-13(15)6-5-10(12)2/h5-6,8,11,16H,4,7,9H2,1-3H3
InChIKeyBRLMNEKIKRWCSG-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566762
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116566877
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(5-bromo-2-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566873
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
1-(5-fluoro-2-methylphenyl)-3-(methylamino)butan-2-one
CID 105376561
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
3-ethyl-1-(5-fluoro-2-methylphenyl)heptan-2-one
CID 105376810
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The IUPAC name of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one (CID 105376567) is 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one is CCNC(C)CC(=O)Cc1cc(F)ccc1C.
What is the InChIKey of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The InChIKey is BRLMNEKIKRWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16-11(3)7-14(17)9-12-8-13(15)6-5-10(12)2/h5-6,8,11,16H,4,7,9H2,1-3H3.
What are the key properties of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one?
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one has a molecular weight of 237.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one is sourced from PubChem (CID 105376567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).