1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol

C17H19F2NO3 — CID 3786729

IUPAC1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO3/c1-20(17-8-3-12(18)9-16(17)19)10-13(21)11-23-15-6-4-14(22-2)5-7-15/h3-9,13,21H,10-11H2,1-2H3
InChIKeyMBMBGHGTYYKEBG-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.85
Rot. Bonds7

About 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol

1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 3786729) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID3786729
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO3/c1-20(17-8-3-12(18)9-16(17)19)10-13(21)11-23-15-6-4-14(22-2)5-7-15/h3-9,13,21H,10-11H2,1-2H3
InChIKeyMBMBGHGTYYKEBG-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93162660
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
CID 3324139
(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 52528617
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
3-[bis[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]phenol
CID 41092609

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol (CID 3786729) is 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN(C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is MBMBGHGTYYKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-20(17-8-3-12(18)9-16(17)19)10-13(21)11-23-15-6-4-14(22-2)5-7-15/h3-9,13,21H,10-11H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol?
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 323.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 3786729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).