3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol

C10H14BrNO — CID 84802437

IUPAC3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(Br)ccc(C)c1O
InChIInChI=1S/C10H14BrNO/c1-7-3-4-9(11)8(10(7)13)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyCMQCIYYJJYNTFT-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.23
Rot. Bonds3

About 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol

3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol (PubChem CID 84802437) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
PubChem CID84802437
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(Br)ccc(C)c1O
InChIInChI=1S/C10H14BrNO/c1-7-3-4-9(11)8(10(7)13)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyCMQCIYYJJYNTFT-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
3-bromo-6-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117367015
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
CID 84692427
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
3-bromo-2-[3-(methylamino)propyl]phenol
CID 84737240
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
3-bromo-2,6-dimethylphenol;ethane
CID 142823645
3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
CID 84807446

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol (CID 84802437) is 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol is CNCCc1c(Br)ccc(C)c1O.
What is the InChIKey of 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol?
The InChIKey is CMQCIYYJJYNTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-3-4-9(11)8(10(7)13)5-6-12-2/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol?
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol has a molecular weight of 244.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84802437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).