1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol

C16H26FNO2 — CID 115997200

IUPAC1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
SMILESCOCCN(CC(C)C(O)c1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO2/c1-12(2)18(9-10-20-4)11-13(3)16(19)14-7-5-6-8-15(14)17/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyKVFINXCGOJUQTH-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.85
Rot. Bonds8

About 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol

1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 115997200) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
PubChem CID115997200
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
SMILESCOCCN(CC(C)C(O)c1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO2/c1-12(2)18(9-10-20-4)11-13(3)16(19)14-7-5-6-8-15(14)17/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyKVFINXCGOJUQTH-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103240
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol (CID 115997200) is 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol is COCCN(CC(C)C(O)c1ccccc1F)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is KVFINXCGOJUQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-12(2)18(9-10-20-4)11-13(3)16(19)14-7-5-6-8-15(14)17/h5-8,12-13,16,19H,9-11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol?
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115997200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).