4-(2-aminopropyl)phenol;hydrobromide

C9H14BrNO — CID 9377

IUPAC4-(2-aminopropyl)phenol;hydrobromide
SMILESBr.CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H
InChIKeyRZCJLMTXBMNRAD-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.86
Rot. Bonds2

About 4-(2-aminopropyl)phenol;hydrobromide

4-(2-aminopropyl)phenol;hydrobromide (PubChem CID 9377) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-(2-aminopropyl)phenol;hydrobromide.

Molecular Properties

Compound Name4-(2-aminopropyl)phenol;hydrobromide
PubChem CID9377
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name4-(2-aminopropyl)phenol;hydrobromide
SMILESBr.CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H
InChIKeyRZCJLMTXBMNRAD-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)phenol;hydrobromide?
The IUPAC name of 4-(2-aminopropyl)phenol;hydrobromide (CID 9377) is 4-(2-aminopropyl)phenol;hydrobromide.
What is the SMILES notation for 4-(2-aminopropyl)phenol;hydrobromide?
The canonical SMILES for 4-(2-aminopropyl)phenol;hydrobromide is Br.CC(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminopropyl)phenol;hydrobromide?
The InChIKey is RZCJLMTXBMNRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H.
What are the key properties of 4-(2-aminopropyl)phenol;hydrobromide?
4-(2-aminopropyl)phenol;hydrobromide has a molecular weight of 232.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)phenol;hydrobromide is sourced from PubChem (CID 9377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).