4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol

C14H22BrNO — CID 112621866

IUPAC4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
SMILESCCC(C)(C)N(C)Cc1cc(Br)cc(C)c1O
InChIInChI=1S/C14H22BrNO/c1-6-14(3,4)16(5)9-11-8-12(15)7-10(2)13(11)17/h7-8,17H,6,9H2,1-5H3
InChIKeyCZTGDVCNONUMHU-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol

4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol (PubChem CID 112621866) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
PubChem CID112621866
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
SMILESCCC(C)(C)N(C)Cc1cc(Br)cc(C)c1O
InChIInChI=1S/C14H22BrNO/c1-6-14(3,4)16(5)9-11-8-12(15)7-10(2)13(11)17/h7-8,17H,6,9H2,1-5H3
InChIKeyCZTGDVCNONUMHU-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
3-[(5-bromo-2-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042440
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
CID 115903850
4-bromo-2-[(3-fluoro-N-methylanilino)methyl]-6-methylphenol
CID 112621834
4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 112621836
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
3-bromo-4-[[methyl(2-methylbutan-2-yl)amino]methyl]aniline
CID 63983056
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
N'-hydroxy-3-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482615
5-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 80727342
3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63966881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol (CID 112621866) is 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol is CCC(C)(C)N(C)Cc1cc(Br)cc(C)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol?
The InChIKey is CZTGDVCNONUMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-6-14(3,4)16(5)9-11-8-12(15)7-10(2)13(11)17/h7-8,17H,6,9H2,1-5H3.
What are the key properties of 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol?
4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol has a molecular weight of 300.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 112621866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).