2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol

C15H25FN2O2 — CID 62643636

IUPAC2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCNC(CCN(CCO)CCO)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2/c1-2-17-15(13-3-5-14(16)6-4-13)7-8-18(9-11-19)10-12-20/h3-6,15,17,19-20H,2,7-12H2,1H3
InChIKeyLUAUMTYUAPNWGU-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.15
Rot. Bonds10

About 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol

2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62643636) has the molecular formula C15H25FN2O2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62643636
Molecular FormulaC15H25FN2O2
Molecular Weight284.37 g/mol
Exact Mass284.19
IUPAC Name2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCNC(CCN(CCO)CCO)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2/c1-2-17-15(13-3-5-14(16)6-4-13)7-8-18(9-11-19)10-12-20/h3-6,15,17,19-20H,2,7-12H2,1H3
InChIKeyLUAUMTYUAPNWGU-UHFFFAOYSA-N
XLogP1.15
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
CID 62644893
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol (CID 62643636) is 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol is CCNC(CCN(CCO)CCO)c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is LUAUMTYUAPNWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-2-17-15(13-3-5-14(16)6-4-13)7-8-18(9-11-19)10-12-20/h3-6,15,17,19-20H,2,7-12H2,1H3.
What are the key properties of 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 284.37 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62643636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).