4-(aminomethyl)-2-chlorophenol;hydrobromide

C7H9BrClNO — CID 67045534

IUPAC4-(aminomethyl)-2-chlorophenol;hydrobromide
SMILESBr.NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C7H8ClNO.BrH/c8-6-3-5(4-9)1-2-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyZJVOPNZUXHHKTF-UHFFFAOYSA-N
MW238.51 g/mol
LogP2.08
Rot. Bonds1

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

4-(aminomethyl)-2-chlorophenol;hydrobromide (PubChem CID 67045534) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chlorophenol;hydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)-2-chlorophenol;hydrobromide
PubChem CID67045534
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC Name4-(aminomethyl)-2-chlorophenol;hydrobromide
SMILESBr.NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C7H8ClNO.BrH/c8-6-3-5(4-9)1-2-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyZJVOPNZUXHHKTF-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chlorophenol;hydrobromide?
The IUPAC name of 4-(aminomethyl)-2-chlorophenol;hydrobromide (CID 67045534) is 4-(aminomethyl)-2-chlorophenol;hydrobromide.
What is the SMILES notation for 4-(aminomethyl)-2-chlorophenol;hydrobromide?
The canonical SMILES for 4-(aminomethyl)-2-chlorophenol;hydrobromide is Br.NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-2-chlorophenol;hydrobromide?
The InChIKey is ZJVOPNZUXHHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.BrH/c8-6-3-5(4-9)1-2-7(6)10;/h1-3,10H,4,9H2;1H.
What are the key properties of 4-(aminomethyl)-2-chlorophenol;hydrobromide?
4-(aminomethyl)-2-chlorophenol;hydrobromide has a molecular weight of 238.51 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chlorophenol;hydrobromide is sourced from PubChem (CID 67045534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).