2-bromo-4-[2-(methylamino)ethyl]phenol

C9H12BrNO — CID 56599472

IUPAC2-bromo-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1ccc(O)c(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-5-4-7-2-3-9(12)8(10)6-7/h2-3,6,11-12H,4-5H2,1H3
InChIKeyAINJSQXLMHMVIX-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.92
Rot. Bonds3

About 2-bromo-4-[2-(methylamino)ethyl]phenol

2-bromo-4-[2-(methylamino)ethyl]phenol (PubChem CID 56599472) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[2-(methylamino)ethyl]phenol
PubChem CID56599472
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1ccc(O)c(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-5-4-7-2-3-9(12)8(10)6-7/h2-3,6,11-12H,4-5H2,1H3
InChIKeyAINJSQXLMHMVIX-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2-bromo-4-[2-(methylamino)ethyl]phenol (CID 56599472) is 2-bromo-4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-bromo-4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-bromo-4-[2-(methylamino)ethyl]phenol is CNCCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(methylamino)ethyl]phenol?
The InChIKey is AINJSQXLMHMVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-5-4-7-2-3-9(12)8(10)6-7/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 2-bromo-4-[2-(methylamino)ethyl]phenol?
2-bromo-4-[2-(methylamino)ethyl]phenol has a molecular weight of 230.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 56599472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).