1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol

C16H17F2NO2 — CID 60900206

IUPAC1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1ccc(F)c(NCC(O)COc2ccccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-11-6-7-13(17)15(8-11)19-9-12(20)10-21-16-5-3-2-4-14(16)18/h2-8,12,19-20H,9-10H2,1H3
InChIKeyMVQRYXZAPMHRLT-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.13
Rot. Bonds6

About 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol

1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 60900206) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID60900206
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1ccc(F)c(NCC(O)COc2ccccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-11-6-7-13(17)15(8-11)19-9-12(20)10-21-16-5-3-2-4-14(16)18/h2-8,12,19-20H,9-10H2,1H3
InChIKeyMVQRYXZAPMHRLT-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.13
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-phenylmethoxypropan-2-ol
CID 60900779
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol (CID 60900206) is 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol is Cc1ccc(F)c(NCC(O)COc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is MVQRYXZAPMHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-11-6-7-13(17)15(8-11)19-9-12(20)10-21-16-5-3-2-4-14(16)18/h2-8,12,19-20H,9-10H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 293.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 60900206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).