4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol

C11H16BrNO — CID 83732596

IUPAC4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol
SMILESCNC(C)(C)Cc1cc(O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-11(2,13-3)7-8-6-9(14)4-5-10(8)12/h4-6,13-14H,7H2,1-3H3
InChIKeyZMTVFODOPWFBDZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol

4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol (PubChem CID 83732596) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol
PubChem CID83732596
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol
SMILESCNC(C)(C)Cc1cc(O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-11(2,13-3)7-8-6-9(14)4-5-10(8)12/h4-6,13-14H,7H2,1-3H3
InChIKeyZMTVFODOPWFBDZ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol?
The IUPAC name of 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol (CID 83732596) is 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol.
What is the SMILES notation for 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol?
The canonical SMILES for 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol is CNC(C)(C)Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol?
The InChIKey is ZMTVFODOPWFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,13-3)7-8-6-9(14)4-5-10(8)12/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol?
4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol has a molecular weight of 258.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol is sourced from PubChem (CID 83732596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).