3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol

C15H24FNO3 — CID 106175670

IUPAC3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-3-15(2,8-9-18)17-10-13(19)11-20-14-6-4-12(16)5-7-14/h4-7,13,17-19H,3,8-11H2,1-2H3
InChIKeyHXRGHNZWYIHKHE-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.71
Rot. Bonds9

About 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol (PubChem CID 106175670) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
PubChem CID106175670
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-3-15(2,8-9-18)17-10-13(19)11-20-14-6-4-12(16)5-7-14/h4-7,13,17-19H,3,8-11H2,1-2H3
InChIKeyHXRGHNZWYIHKHE-UHFFFAOYSA-N
XLogP1.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol (CID 106175670) is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
The InChIKey is HXRGHNZWYIHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-3-15(2,8-9-18)17-10-13(19)11-20-14-6-4-12(16)5-7-14/h4-7,13,17-19H,3,8-11H2,1-2H3.
What are the key properties of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol?
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106175670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).