3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one

C13H18FNO2 — CID 62052603

IUPAC3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(CCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-15(9-10-16)8-7-13(17)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyHGEKOYJMKZRVSF-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.71
Rot. Bonds7

About 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one

3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 62052603) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
PubChem CID62052603
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(CCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-15(9-10-16)8-7-13(17)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyHGEKOYJMKZRVSF-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
1-(4-bromophenyl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
CID 62612995
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 107486425
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
N,N-diethylethanamine;4-fluorobenzoic acid
CID 71324122

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one (CID 62052603) is 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one is CCN(CCO)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is HGEKOYJMKZRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-15(9-10-16)8-7-13(17)11-3-5-12(14)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one?
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 239.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 62052603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).