1-(3,4-dichlorophenyl)-2-(methylamino)ethanol

C9H11Cl2NO — CID 6451330

IUPAC1-(3,4-dichlorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3
InChIKeyJXQCVKCHXCEYSQ-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.25
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol

1-(3,4-dichlorophenyl)-2-(methylamino)ethanol (PubChem CID 6451330) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(methylamino)ethanol
PubChem CID6451330
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name1-(3,4-dichlorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3
InChIKeyJXQCVKCHXCEYSQ-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.25
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-(methylamino)ethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol (CID 6451330) is 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol?
The InChIKey is JXQCVKCHXCEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(methylamino)ethanol?
1-(3,4-dichlorophenyl)-2-(methylamino)ethanol has a molecular weight of 220.10 g/mol, XLogP of 2.25, 3 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-(methylamino)ethanol is sourced from PubChem (CID 6451330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).