2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol

C15H24FNO2 — CID 62015678

IUPAC2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCOc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-13(4-2)17(9-11-18)10-12-19-15-8-6-5-7-14(15)16/h5-8,13,18H,3-4,9-12H2,1-2H3
InChIKeyZLFUDPXYCQQDHH-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.69
Rot. Bonds9

About 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol

2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol (PubChem CID 62015678) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol
PubChem CID62015678
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CCOc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-13(4-2)17(9-11-18)10-12-19-15-8-6-5-7-14(15)16/h5-8,13,18H,3-4,9-12H2,1-2H3
InChIKeyZLFUDPXYCQQDHH-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691858
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol
CID 62016261
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
CID 107485528
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol (CID 62015678) is 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CCOc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol?
The InChIKey is ZLFUDPXYCQQDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-13(4-2)17(9-11-18)10-12-19-15-8-6-5-7-14(15)16/h5-8,13,18H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol?
2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol has a molecular weight of 269.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62015678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).