1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H19Cl2NO3 — CID 106989019

IUPAC1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-9(7-18-2)19-8-11(17)6-16-13-5-10(14)3-4-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeyFBYZWQSREICTQQ-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.82
Rot. Bonds8

About 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989019) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989019
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-9(7-18-2)19-8-11(17)6-16-13-5-10(14)3-4-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeyFBYZWQSREICTQQ-UHFFFAOYSA-N
XLogP2.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189
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-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989019) is 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is FBYZWQSREICTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-9(7-18-2)19-8-11(17)6-16-13-5-10(14)3-4-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 308.20 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).