2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol

C11H15Br2NO2 — CID 103602773

IUPAC2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
SMILESCOCC(C)NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H15Br2NO2/c1-7(6-16-2)14-5-8-3-9(12)11(15)10(13)4-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyFJAUBWRSMYBOIQ-UHFFFAOYSA-N
MW353.05 g/mol
LogP3.04
Rot. Bonds5

About 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol

2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol (PubChem CID 103602773) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
PubChem CID103602773
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
SMILESCOCC(C)NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H15Br2NO2/c1-7(6-16-2)14-5-8-3-9(12)11(15)10(13)4-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyFJAUBWRSMYBOIQ-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[(1,1-dimethoxypropan-2-ylamino)methyl]phenol
CID 107740818
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methoxypropan-2-amine
CID 43143903
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
2,6-dibromo-4-(1-methoxypropan-2-yl)phenol
CID 54472694
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
2,6-dibromo-4-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 113218805
2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol
CID 107740810
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol (CID 103602773) is 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol is COCC(C)NCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol?
The InChIKey is FJAUBWRSMYBOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-7(6-16-2)14-5-8-3-9(12)11(15)10(13)4-8/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol?
2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol has a molecular weight of 353.05 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 103602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).