1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H26FNO2 — CID 110903446

IUPAC1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)COC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-16(2,3)20-12-15(19)11-18(4)10-9-13-5-7-14(17)8-6-13/h5-8,15,19H,9-12H2,1-4H3
InChIKeyRBEVCBDTFOATIY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.48
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 110903446) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID110903446
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCN(CCc1ccc(F)cc1)CC(O)COC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-16(2,3)20-12-15(19)11-18(4)10-9-13-5-7-14(17)8-6-13/h5-8,15,19H,9-12H2,1-4H3
InChIKeyRBEVCBDTFOATIY-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
1-[bis(4-fluorophenyl)methoxy]-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propan-2-ol
CID 4852479
1-[(2-methylpropan-2-yl)oxy]-3-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 110898600
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713535
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-fluorophenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164126
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 58837038
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
1-methoxy-3-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-ol
CID 62016357
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 110903446) is 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CN(CCc1ccc(F)cc1)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RBEVCBDTFOATIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-16(2,3)20-12-15(19)11-18(4)10-9-13-5-7-14(17)8-6-13/h5-8,15,19H,9-12H2,1-4H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 110903446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).