3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol

C16H26FNO3 — CID 103950075

IUPAC3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COCc1ccccc1F
InChIInChI=1S/C16H26FNO3/c1-3-16(2,8-9-19)18-10-14(20)12-21-11-13-6-4-5-7-15(13)17/h4-7,14,18-20H,3,8-12H2,1-2H3
InChIKeyZKVVSKUKJJZTJO-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.84
Rot. Bonds10

About 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol

3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol (PubChem CID 103950075) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
PubChem CID103950075
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COCc1ccccc1F
InChIInChI=1S/C16H26FNO3/c1-3-16(2,8-9-19)18-10-14(20)12-21-11-13-6-4-5-7-15(13)17/h4-7,14,18-20H,3,8-12H2,1-2H3
InChIKeyZKVVSKUKJJZTJO-UHFFFAOYSA-N
XLogP1.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
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
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol (CID 103950075) is 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)COCc1ccccc1F.
What is the InChIKey of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The InChIKey is ZKVVSKUKJJZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-3-16(2,8-9-19)18-10-14(20)12-21-11-13-6-4-5-7-15(13)17/h4-7,14,18-20H,3,8-12H2,1-2H3.
What are the key properties of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol has a molecular weight of 299.39 g/mol, XLogP of 1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 103950075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).