1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol

C15H24FNO2 — CID 103461242

IUPAC1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCCC(C)(C)CNCC(O)COc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-4-15(2,3)11-17-9-12(18)10-19-14-8-6-5-7-13(14)16/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyBWPJEBUIYBAVPO-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.59
Rot. Bonds8

About 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol

1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 103461242) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID103461242
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCCC(C)(C)CNCC(O)COc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-4-15(2,3)11-17-9-12(18)10-19-14-8-6-5-7-13(14)16/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyBWPJEBUIYBAVPO-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol (CID 103461242) is 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol is CCC(C)(C)CNCC(O)COc1ccccc1F.
What is the InChIKey of 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is BWPJEBUIYBAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-15(2,3)11-17-9-12(18)10-19-14-8-6-5-7-13(14)16/h5-8,12,17-18H,4,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol?
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 103461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).