1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H22FNO3 — CID 106989282

IUPAC1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO3/c1-10-4-5-13(15)14(6-10)16-7-12(17)9-19-11(2)8-18-3/h4-6,11-12,16-17H,7-9H2,1-3H3
InChIKeyMJSYVDUWMHSFHM-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.96
Rot. Bonds8

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

1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989282) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989282
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO3/c1-10-4-5-13(15)14(6-10)16-7-12(17)9-19-11(2)8-18-3/h4-6,11-12,16-17H,7-9H2,1-3H3
InChIKeyMJSYVDUWMHSFHM-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
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-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989282) is 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is MJSYVDUWMHSFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-10-4-5-13(15)14(6-10)16-7-12(17)9-19-11(2)8-18-3/h4-6,11-12,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 271.33 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).