1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H19Cl2NO2 — CID 60897711

IUPAC1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO2/c1-13(2,3)18-8-12(17)7-16-11-5-9(14)4-10(15)6-11/h4-6,12,16-17H,7-8H2,1-3H3
InChIKeyRCKYXLVSCYQVHF-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.58
Rot. Bonds5

About 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60897711) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60897711
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO2/c1-13(2,3)18-8-12(17)7-16-11-5-9(14)4-10(15)6-11/h4-6,12,16-17H,7-8H2,1-3H3
InChIKeyRCKYXLVSCYQVHF-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]benzonitrile
CID 60900095
1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60898599
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60897711) is 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RCKYXLVSCYQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-13(2,3)18-8-12(17)7-16-11-5-9(14)4-10(15)6-11/h4-6,12,16-17H,7-8H2,1-3H3.
What are the key properties of 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60897711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).