2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol

C15H15Cl2NO2 — CID 61044772

IUPAC2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NC(CO)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-20-12-5-3-11(4-6-12)18-15(9-19)13-7-2-10(16)8-14(13)17/h2-8,15,18-19H,9H2,1H3
InChIKeyAZCVHKZDBMHJEK-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.15
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol

2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol (PubChem CID 61044772) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
PubChem CID61044772
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
SMILESCOc1ccc(NC(CO)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-20-12-5-3-11(4-6-12)18-15(9-19)13-7-2-10(16)8-14(13)17/h2-8,15,18-19H,9H2,1H3
InChIKeyAZCVHKZDBMHJEK-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-chloroanilino)-5-(2,4-dichlorophenyl)pentanoate
CID 58957005
2-anilino-2-(2,4-dimethoxyphenyl)ethanol
CID 61047149
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
CID 102577754
3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
CID 72751636
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol (CID 61044772) is 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol is COc1ccc(NC(CO)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol?
The InChIKey is AZCVHKZDBMHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-20-12-5-3-11(4-6-12)18-15(9-19)13-7-2-10(16)8-14(13)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol?
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol has a molecular weight of 312.20 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol is sourced from PubChem (CID 61044772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).