3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

C15H24FNO2 — CID 106285676

IUPAC3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-11(4-2)14(18)9-17-10-15(19)12-7-5-6-8-13(12)16/h5-8,11,14-15,17-19H,3-4,9-10H2,1-2H3
InChIKeyJURAGERRVQZNGN-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.25
Rot. Bonds8

About 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (PubChem CID 106285676) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
PubChem CID106285676
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-11(4-2)14(18)9-17-10-15(19)12-7-5-6-8-13(12)16/h5-8,11,14-15,17-19H,3-4,9-10H2,1-2H3
InChIKeyJURAGERRVQZNGN-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (CID 106285676) is 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is CCC(CC)C(O)CNCC(O)c1ccccc1F.
What is the InChIKey of 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The InChIKey is JURAGERRVQZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-11(4-2)14(18)9-17-10-15(19)12-7-5-6-8-13(12)16/h5-8,11,14-15,17-19H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is sourced from PubChem (CID 106285676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).