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

C11H15Cl2NO — CID 60885182

IUPAC1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-8(15)7-14-5-4-9-2-3-10(12)6-11(9)13/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyADYGOVPNLBPSHV-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.51
Rot. Bonds5

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

1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol (PubChem CID 60885182) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
PubChem CID60885182
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-8(15)7-14-5-4-9-2-3-10(12)6-11(9)13/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyADYGOVPNLBPSHV-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.51
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-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 60897738
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
CID 63934394
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol (CID 60885182) is 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol is CC(O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The InChIKey is ADYGOVPNLBPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-8(15)7-14-5-4-9-2-3-10(12)6-11(9)13/h2-3,6,8,14-15H,4-5,7H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 2.51, 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]propan-2-ol is sourced from PubChem (CID 60885182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).