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

C14H20FNO2 — CID 115927903

IUPAC3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(CCCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-16(9-3-11-17)10-8-14(18)12-4-6-13(15)7-5-12/h4-7,17H,2-3,8-11H2,1H3
InChIKeyXJARXYYYIZEBKB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.10
Rot. Bonds8

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

3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 115927903) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
PubChem CID115927903
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(CCCO)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-16(9-3-11-17)10-8-14(18)12-4-6-13(15)7-5-12/h4-7,17H,2-3,8-11H2,1H3
InChIKeyXJARXYYYIZEBKB-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
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-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
N,N-diethylethanamine;4-fluorobenzoic acid
CID 71324122
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one (CID 115927903) is 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one is CCN(CCCO)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is XJARXYYYIZEBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-16(9-3-11-17)10-8-14(18)12-4-6-13(15)7-5-12/h4-7,17H,2-3,8-11H2,1H3.
What are the key properties of 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one?
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 115927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).