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

C16H26FNO2 — CID 61469296

IUPAC1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COCc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO2/c1-4-16(12(2)3)18-9-14(19)11-20-10-13-7-5-6-8-15(13)17/h5-8,12,14,16,18-19H,4,9-11H2,1-3H3
InChIKeyXMTUHTGYAMXJNJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.73
Rot. Bonds9

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

1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol (PubChem CID 61469296) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
PubChem CID61469296
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COCc1ccccc1F)C(C)C
InChIInChI=1S/C16H26FNO2/c1-4-16(12(2)3)18-9-14(19)11-20-10-13-7-5-6-8-15(13)17/h5-8,12,14,16,18-19H,4,9-11H2,1-3H3
InChIKeyXMTUHTGYAMXJNJ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
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-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol (CID 61469296) is 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol is CCC(NCC(O)COCc1ccccc1F)C(C)C.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is XMTUHTGYAMXJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-16(12(2)3)18-9-14(19)11-20-10-13-7-5-6-8-15(13)17/h5-8,12,14,16,18-19H,4,9-11H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 2.73, 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-(2-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 61469296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).