1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol

C16H26FNO2 — CID 103829136

IUPAC1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(C)(CC)NCC(O)COCc1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-4-16(3,5-2)18-10-14(19)12-20-11-13-8-6-7-9-15(13)17/h6-9,14,18-19H,4-5,10-12H2,1-3H3
InChIKeyIHNUQDDGYYNHJN-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.87
Rot. Bonds9

About 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol (PubChem CID 103829136) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
PubChem CID103829136
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(C)(CC)NCC(O)COCc1ccccc1F
InChIInChI=1S/C16H26FNO2/c1-4-16(3,5-2)18-10-14(19)12-20-11-13-8-6-7-9-15(13)17/h6-9,14,18-19H,4-5,10-12H2,1-3H3
InChIKeyIHNUQDDGYYNHJN-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol (CID 103829136) is 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol is CCC(C)(CC)NCC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is IHNUQDDGYYNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-16(3,5-2)18-10-14(19)12-20-11-13-8-6-7-9-15(13)17/h6-9,14,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 103829136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).