1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol

C15H24FNO2 — CID 79378244

IUPAC1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCC(O)c1ccccc1F)CC(C)(C)O
InChIInChI=1S/C15H24FNO2/c1-4-17(11-15(2,3)19)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18-19H,4,9-11H2,1-3H3
InChIKeyLWKSNBFWBWUNCH-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.34
Rot. Bonds7

About 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol

1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol (PubChem CID 79378244) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol
PubChem CID79378244
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCC(O)c1ccccc1F)CC(C)(C)O
InChIInChI=1S/C15H24FNO2/c1-4-17(11-15(2,3)19)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18-19H,4,9-11H2,1-3H3
InChIKeyLWKSNBFWBWUNCH-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
CID 110887728
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol (CID 79378244) is 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol is CCN(CCC(O)c1ccccc1F)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol?
The InChIKey is LWKSNBFWBWUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-17(11-15(2,3)19)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18-19H,4,9-11H2,1-3H3.
What are the key properties of 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79378244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).