2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol

C12H18BrNO — CID 82977021

IUPAC2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(C)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-9(2)7-14(3)8-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8H2,1-3H3
InChIKeyQFOBHRNMYQIFSL-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol

2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 82977021) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
PubChem CID82977021
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(C)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-9(2)7-14(3)8-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8H2,1-3H3
InChIKeyQFOBHRNMYQIFSL-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Dimethylamino)methyl)phenol
CID 32895
1-(3-Bromo-4-methoxybenzyl)azepane
CID 764598
2,6-Dibromo-4-((cyclohexyl(3,5-dibromo-4-hydroxybenzyl)amino)methyl)phenol
CID 241475
2-(1-Azocanylmethyl)-4-bromophenol
CID 757597
2,6-Dibromo-4-[(cyclohexylamino)methyl]phenol
CID 240929
4-(Aminomethyl)-2-bromophenol
CID 12376512
3-Bromo-N-methyltyramine
CID 56599472
Cambridge id 5349436
CID 3702824
4-(Aminomethyl)-2-bromophenol hydrobromide
CID 67237150
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]carbamate
CID 67237560
2-(3,5-Dibromo-4-hydroxyphenyl)ethyl-trimethylazanium chloride
CID 45266388
2,6-Dibromo-4-[[3-(dimethylamino)propylamino]methyl]phenol
CID 76321468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol (CID 82977021) is 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol is CC(C)CN(C)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is QFOBHRNMYQIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(2)7-14(3)8-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 272.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 82977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).