1-[2,4-dichloro-3-(methylamino)phenyl]ethanol

C9H11Cl2NO — CID 147752403

IUPAC1-[2,4-dichloro-3-(methylamino)phenyl]ethanol
SMILESCNc1c(Cl)ccc(C(C)O)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-5(13)6-3-4-7(10)9(12-2)8(6)11/h3-5,12-13H,1-2H3
InChIKeyHCLPOFCRJFLDFC-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.09
Rot. Bonds2

About 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol

1-[2,4-dichloro-3-(methylamino)phenyl]ethanol (PubChem CID 147752403) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,4-dichloro-3-(methylamino)phenyl]ethanol
PubChem CID147752403
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name1-[2,4-dichloro-3-(methylamino)phenyl]ethanol
SMILESCNc1c(Cl)ccc(C(C)O)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-5(13)6-3-4-7(10)9(12-2)8(6)11/h3-5,12-13H,1-2H3
InChIKeyHCLPOFCRJFLDFC-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol?
The IUPAC name of 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol (CID 147752403) is 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol?
The canonical SMILES for 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol is CNc1c(Cl)ccc(C(C)O)c1Cl.
What is the InChIKey of 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol?
The InChIKey is HCLPOFCRJFLDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-5(13)6-3-4-7(10)9(12-2)8(6)11/h3-5,12-13H,1-2H3.
What are the key properties of 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol?
1-[2,4-dichloro-3-(methylamino)phenyl]ethanol has a molecular weight of 220.10 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-(methylamino)phenyl]ethanol is sourced from PubChem (CID 147752403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).