4-(2-aminoethyl)-2-chlorophenol;hydrobromide

C8H11BrClNO — CID 67045103

IUPAC4-(2-aminoethyl)-2-chlorophenol;hydrobromide
SMILESBr.NCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO.BrH/c9-7-5-6(3-4-10)1-2-8(7)11;/h1-2,5,11H,3-4,10H2;1H
InChIKeyAUTWIEGWRJXQLG-UHFFFAOYSA-N
MW252.54 g/mol
LogP2.12
Rot. Bonds2

About 4-(2-aminoethyl)-2-chlorophenol;hydrobromide

4-(2-aminoethyl)-2-chlorophenol;hydrobromide (PubChem CID 67045103) has the molecular formula C8H11BrClNO and a molecular weight of 252.54 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chlorophenol;hydrobromide.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chlorophenol;hydrobromide
PubChem CID67045103
Molecular FormulaC8H11BrClNO
Molecular Weight252.54 g/mol
Exact Mass250.97
IUPAC Name4-(2-aminoethyl)-2-chlorophenol;hydrobromide
SMILESBr.NCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO.BrH/c9-7-5-6(3-4-10)1-2-8(7)11;/h1-2,5,11H,3-4,10H2;1H
InChIKeyAUTWIEGWRJXQLG-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.54
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chlorophenol;hydrobromide?
The IUPAC name of 4-(2-aminoethyl)-2-chlorophenol;hydrobromide (CID 67045103) is 4-(2-aminoethyl)-2-chlorophenol;hydrobromide.
What is the SMILES notation for 4-(2-aminoethyl)-2-chlorophenol;hydrobromide?
The canonical SMILES for 4-(2-aminoethyl)-2-chlorophenol;hydrobromide is Br.NCCc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chlorophenol;hydrobromide?
The InChIKey is AUTWIEGWRJXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.BrH/c9-7-5-6(3-4-10)1-2-8(7)11;/h1-2,5,11H,3-4,10H2;1H.
What are the key properties of 4-(2-aminoethyl)-2-chlorophenol;hydrobromide?
4-(2-aminoethyl)-2-chlorophenol;hydrobromide has a molecular weight of 252.54 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chlorophenol;hydrobromide is sourced from PubChem (CID 67045103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).