2-(2,3-dichlorophenyl)-2-(propylamino)ethanol

C11H15Cl2NO — CID 61054379

IUPAC2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-6-14-10(7-15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyAJKJMYKPVYGSNN-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol

2-(2,3-dichlorophenyl)-2-(propylamino)ethanol (PubChem CID 61054379) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
PubChem CID61054379
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-6-14-10(7-15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyAJKJMYKPVYGSNN-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine
CID 103546661
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol (CID 61054379) is 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol is CCCNC(CO)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol?
The InChIKey is AJKJMYKPVYGSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-6-14-10(7-15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol?
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol has a molecular weight of 248.15 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 61054379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).