1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol

C15H24FNO2 — CID 81379953

IUPAC1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN[C@H](C)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-11(2)9-19-10-13(18)8-17-12(3)14-6-4-5-7-15(14)16/h4-7,11-13,17-18H,8-10H2,1-3H3/t12-,13?/m1/s1
InChIKeyVLXUPQKQUQBBJF-PZORYLMUSA-N
MW269.36 g/mol
LogP2.51
Rot. Bonds8

About 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 81379953) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID81379953
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN[C@H](C)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-11(2)9-19-10-13(18)8-17-12(3)14-6-4-5-7-15(14)16/h4-7,11-13,17-18H,8-10H2,1-3H3/t12-,13?/m1/s1
InChIKeyVLXUPQKQUQBBJF-PZORYLMUSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 81379953) is 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CN[C@H](C)c1ccccc1F.
What is the InChIKey of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is VLXUPQKQUQBBJF-PZORYLMUSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(2)9-19-10-13(18)8-17-12(3)14-6-4-5-7-15(14)16/h4-7,11-13,17-18H,8-10H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 81379953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).