2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol

C11H16BrNO — CID 84709440

IUPAC2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)cc(C)c(Br)c1O
InChIInChI=1S/C11H16BrNO/c1-7-6-8(2)10(12)11(14)9(7)4-5-13-3/h6,13-14H,4-5H2,1-3H3
InChIKeyXYPQJQVRXCDPSO-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.53
Rot. Bonds3

About 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol

2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol (PubChem CID 84709440) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
PubChem CID84709440
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)cc(C)c(Br)c1O
InChIInChI=1S/C11H16BrNO/c1-7-6-8(2)10(12)11(14)9(7)4-5-13-3/h6,13-14H,4-5H2,1-3H3
InChIKeyXYPQJQVRXCDPSO-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol (CID 84709440) is 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol is CNCCc1c(C)cc(C)c(Br)c1O.
What is the InChIKey of 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol?
The InChIKey is XYPQJQVRXCDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-6-8(2)10(12)11(14)9(7)4-5-13-3/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol?
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol has a molecular weight of 258.16 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84709440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).