2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol

C14H23BrN2O2 — CID 28651774

IUPAC2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCC(C)(C)N(C)C)cc(Br)c1O
InChIInChI=1S/C14H23BrN2O2/c1-14(2,17(3)4)9-16-8-10-6-11(15)13(18)12(7-10)19-5/h6-7,16,18H,8-9H2,1-5H3
InChIKeyLBMWTCCWOHEJRS-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.59
Rot. Bonds6

About 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol

2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol (PubChem CID 28651774) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
PubChem CID28651774
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCC(C)(C)N(C)C)cc(Br)c1O
InChIInChI=1S/C14H23BrN2O2/c1-14(2,17(3)4)9-16-8-10-6-11(15)13(18)12(7-10)19-5/h6-7,16,18H,8-9H2,1-5H3
InChIKeyLBMWTCCWOHEJRS-UHFFFAOYSA-N
XLogP2.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
CID 115324827
1-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 32669709
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
CID 55162656
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol (CID 28651774) is 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol is COc1cc(CNCC(C)(C)N(C)C)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol?
The InChIKey is LBMWTCCWOHEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-14(2,17(3)4)9-16-8-10-6-11(15)13(18)12(7-10)19-5/h6-7,16,18H,8-9H2,1-5H3.
What are the key properties of 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol?
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol has a molecular weight of 331.25 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 28651774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).