1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol

C17H20FNO2 — CID 62332238

IUPAC1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1cccc(C)c1NCC(O)COc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-12-6-5-7-13(2)17(12)19-10-14(20)11-21-16-9-4-3-8-15(16)18/h3-9,14,19-20H,10-11H2,1-2H3
InChIKeyBQDFBYMSCOHOGU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.29
Rot. Bonds6

About 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol

1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 62332238) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID62332238
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1cccc(C)c1NCC(O)COc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-12-6-5-7-13(2)17(12)19-10-14(20)11-21-16-9-4-3-8-15(16)18/h3-9,14,19-20H,10-11H2,1-2H3
InChIKeyBQDFBYMSCOHOGU-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol (CID 62332238) is 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol is Cc1cccc(C)c1NCC(O)COc1ccccc1F.
What is the InChIKey of 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is BQDFBYMSCOHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-6-5-7-13(2)17(12)19-10-14(20)11-21-16-9-4-3-8-15(16)18/h3-9,14,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol?
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 62332238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).