2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol

C13H20FNO — CID 110008924

IUPAC2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
SMILESCCN(CCO)CCCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-2-15(9-10-16)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyJOOFYWLJJSYILZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.07
Rot. Bonds7

About 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol

2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol (PubChem CID 110008924) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
PubChem CID110008924
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
SMILESCCN(CCO)CCCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-2-15(9-10-16)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyJOOFYWLJJSYILZ-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol 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

2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
acetylene;1-butyl-3-fluorobenzene
CID 142913636
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine
CID 67925323
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
6-(3-fluorophenyl)hexan-3-one
CID 64521140

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol (CID 110008924) is 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol is CCN(CCO)CCCc1cccc(F)c1.
What is the InChIKey of 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol?
The InChIKey is JOOFYWLJJSYILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-15(9-10-16)8-4-6-12-5-3-7-13(14)11-12/h3,5,7,11,16H,2,4,6,8-10H2,1H3.
What are the key properties of 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol?
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol is sourced from PubChem (CID 110008924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).