1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

C11H16Cl3NO — CID 5805

IUPAC1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H
InChIKeyIIEMWZNXXFGMCU-UHFFFAOYSA-N
MW284.61 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride

1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 5805) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID5805
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H
InChIKeyIIEMWZNXXFGMCU-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 5805) is 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is IIEMWZNXXFGMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride?
1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 284.61 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 5805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).