1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol

C15H24FNO2 — CID 115609743

IUPAC1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2/c1-4-9-15(2,3)17-10-13(18)11-19-14-7-5-12(16)6-8-14/h5-8,13,17-18H,4,9-11H2,1-3H3
InChIKeyMZRPPHLWZOSCAJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.73
Rot. Bonds8

About 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol (PubChem CID 115609743) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
PubChem CID115609743
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2/c1-4-9-15(2,3)17-10-13(18)11-19-14-7-5-12(16)6-8-14/h5-8,13,17-18H,4,9-11H2,1-3H3
InChIKeyMZRPPHLWZOSCAJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
(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
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol (CID 115609743) is 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol is CCCC(C)(C)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is MZRPPHLWZOSCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-9-15(2,3)17-10-13(18)11-19-14-7-5-12(16)6-8-14/h5-8,13,17-18H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115609743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).