1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C11H15BrClNO — CID 82719676

IUPAC1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1cc(Cl)ccc1Br
InChIInChI=1S/C11H15BrClNO/c1-11(2,3)15-14-7-8-6-9(13)4-5-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyJSZGQZOCOURPQY-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82719676) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82719676
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1cc(Cl)ccc1Br
InChIInChI=1S/C11H15BrClNO/c1-11(2,3)15-14-7-8-6-9(13)4-5-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyJSZGQZOCOURPQY-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82719676) is 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is JSZGQZOCOURPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-11(2,3)15-14-7-8-6-9(13)4-5-10(8)12/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 292.60 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82719676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).