2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol

C13H20BrNO3 — CID 82982146

IUPAC2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
SMILESCOCC(C)N(C)Cc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H20BrNO3/c1-9(8-17-3)15(2)7-10-5-11(14)13(16)12(6-10)18-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyJCGAKSUGSGUTLZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.63
Rot. Bonds6

About 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol (PubChem CID 82982146) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
PubChem CID82982146
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
SMILESCOCC(C)N(C)Cc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C13H20BrNO3/c1-9(8-17-3)15(2)7-10-5-11(14)13(16)12(6-10)18-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyJCGAKSUGSGUTLZ-UHFFFAOYSA-N
XLogP2.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 65057140
2-bromo-6-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982114
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol (CID 82982146) is 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol is COCC(C)N(C)Cc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
The InChIKey is JCGAKSUGSGUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-9(8-17-3)15(2)7-10-5-11(14)13(16)12(6-10)18-4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol has a molecular weight of 318.21 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).