5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol

C11H16BrNO2 — CID 117437713

IUPAC5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)c(Br)cc(O)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7-8(4-5-13-2)11(15-3)10(14)6-9(7)12/h6,13-14H,4-5H2,1-3H3
InChIKeyUQDPWWSFOIDDKO-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.23
Rot. Bonds4

About 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol

5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol (PubChem CID 117437713) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
PubChem CID117437713
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)c(Br)cc(O)c1OC
InChIInChI=1S/C11H16BrNO2/c1-7-8(4-5-13-2)11(15-3)10(14)6-9(7)12/h6,13-14H,4-5H2,1-3H3
InChIKeyUQDPWWSFOIDDKO-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
2-(3-bromo-6-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902100
3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
CID 84807446
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
CID 117403931
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
CID 117435826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol (CID 117437713) is 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol is CNCCc1c(C)c(Br)cc(O)c1OC.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol?
The InChIKey is UQDPWWSFOIDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-8(4-5-13-2)11(15-3)10(14)6-9(7)12/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol?
5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol has a molecular weight of 274.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117437713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).