2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol

C11H15Cl2NO2 — CID 62543484

IUPAC2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c1-16-5-4-14-11(7-15)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-15H,4-5,7H2,1H3
InChIKeyQSHCPZUTWLPBQL-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.26
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol

2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 62543484) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID62543484
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c1-16-5-4-14-11(7-15)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-15H,4-5,7H2,1H3
InChIKeyQSHCPZUTWLPBQL-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
2-fluoro-4-[2-hydroxy-1-(2-methoxyethylamino)ethyl]phenol
CID 107693476
2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 113328532
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 106531859
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
CID 55084367
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol (CID 62543484) is 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is QSHCPZUTWLPBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-16-5-4-14-11(7-15)8-2-3-9(12)10(13)6-8/h2-3,6,11,14-15H,4-5,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol?
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 264.15 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 62543484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).