1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol

C12H17Cl2NO — CID 60885487

IUPAC1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyBLHTVWOLMFHVDV-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol

1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 60885487) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID60885487
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyBLHTVWOLMFHVDV-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651127
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol (CID 60885487) is 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol is CC(C)(O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is BLHTVWOLMFHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol?
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 60885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).