1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol

C11H15Cl2NO — CID 13232265

IUPAC1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyGFDJZVXXIQBVFE-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.02
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol

1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 13232265) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID13232265
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyGFDJZVXXIQBVFE-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol (CID 13232265) is 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is GFDJZVXXIQBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-9(12)5-10(13)4-8/h3-5,7,11,14-15H,6H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol?
1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 248.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 13232265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).