1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H18Cl2FNO2 — CID 83077931

IUPAC1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H18Cl2FNO2/c1-13(2,3)19-7-9(18)6-17-12-10(14)4-8(16)5-11(12)15/h4-5,9,17-18H,6-7H2,1-3H3
InChIKeyCTZOXSCAAYYEHK-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 83077931) has the molecular formula C13H18Cl2FNO2 and a molecular weight of 310.20 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID83077931
Molecular FormulaC13H18Cl2FNO2
Molecular Weight310.20 g/mol
Exact Mass309.07
IUPAC Name1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H18Cl2FNO2/c1-13(2,3)19-7-9(18)6-17-12-10(14)4-8(16)5-11(12)15/h4-5,9,17-18H,6-7H2,1-3H3
InChIKeyCTZOXSCAAYYEHK-UHFFFAOYSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 107611301
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
CID 83079185
N-(2,6-dichloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605640
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
2-[(2,6-dichloro-4-fluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367490
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 83077931) is 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is CTZOXSCAAYYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FNO2/c1-13(2,3)19-7-9(18)6-17-12-10(14)4-8(16)5-11(12)15/h4-5,9,17-18H,6-7H2,1-3H3.
What are the key properties of 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 310.20 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 83077931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).