2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol

C16H17Cl2NO2 — CID 61048485

IUPAC2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
SMILESCOc1ccccc1NC(C)(CO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-16(10-20,12-9-11(17)7-8-13(12)18)19-14-5-3-4-6-15(14)21-2/h3-9,19-20H,10H2,1-2H3
InChIKeyZNQGDFAJJZKPRE-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.32
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol

2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol (PubChem CID 61048485) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
PubChem CID61048485
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
SMILESCOc1ccccc1NC(C)(CO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-16(10-20,12-9-11(17)7-8-13(12)18)19-14-5-3-4-6-15(14)21-2/h3-9,19-20H,10H2,1-2H3
InChIKeyZNQGDFAJJZKPRE-UHFFFAOYSA-N
XLogP4.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol (CID 61048485) is 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol is COc1ccccc1NC(C)(CO)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol?
The InChIKey is ZNQGDFAJJZKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-16(10-20,12-9-11(17)7-8-13(12)18)19-14-5-3-4-6-15(14)21-2/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol?
2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol has a molecular weight of 326.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol is sourced from PubChem (CID 61048485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).