1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol

C11H15Br2NO2 — CID 107741378

IUPAC1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-11(2,15)6-16-10-8(12)3-7(5-14)4-9(10)13/h3-4,15H,5-6,14H2,1-2H3
InChIKeyTVWOVXDPTKHNKI-UHFFFAOYSA-N
MW353.05 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol

1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol (PubChem CID 107741378) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
PubChem CID107741378
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-11(2,15)6-16-10-8(12)3-7(5-14)4-9(10)13/h3-4,15H,5-6,14H2,1-2H3
InChIKeyTVWOVXDPTKHNKI-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107738494
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
3-bromo-5-ethoxy-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 60886297
1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
CID 114491500
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60889264
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol (CID 107741378) is 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1c(Br)cc(CN)cc1Br.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol?
The InChIKey is TVWOVXDPTKHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-11(2,15)6-16-10-8(12)3-7(5-14)4-9(10)13/h3-4,15H,5-6,14H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol?
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol has a molecular weight of 353.05 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 107741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).