1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine

C14H13Br2NO — CID 64720895

IUPAC1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H13Br2NO/c1-17-9-10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyUDAREESZSWIYMA-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.72
Rot. Bonds4

About 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine

1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine (PubChem CID 64720895) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
PubChem CID64720895
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H13Br2NO/c1-17-9-10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyUDAREESZSWIYMA-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
1-[4-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486767
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
1-[4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64720013
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine (CID 64720895) is 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is UDAREESZSWIYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-17-9-10-2-5-12(6-3-10)18-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine?
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 371.07 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 64720895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).