2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol

C12H17Br2NO — CID 107740214

IUPAC2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
SMILESCCC(C)N(C)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-4-8(2)15(3)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,4,7H2,1-3H3
InChIKeyHRCNYMOYLNQLRT-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.15
Rot. Bonds4

About 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol

2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol (PubChem CID 107740214) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
PubChem CID107740214
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
SMILESCCC(C)N(C)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-4-8(2)15(3)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,4,7H2,1-3H3
InChIKeyHRCNYMOYLNQLRT-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
N-benzyl-N-methylbutan-2-amine
CID 15496809
4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
[3-[[butan-2-yl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 79710876
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
CID 107740282
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(dimethylamino)propanoic acid
CID 67294405

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol (CID 107740214) is 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol is CCC(C)N(C)Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol?
The InChIKey is HRCNYMOYLNQLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-4-8(2)15(3)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,4,7H2,1-3H3.
What are the key properties of 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol?
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol has a molecular weight of 351.08 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 107740214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).