[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine

C15H14Br3NO2 — CID 107741569

IUPAC[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(Br)c(COc2c(Br)cc(CN)cc2Br)c1
InChIInChI=1S/C15H14Br3NO2/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-6H,7-8,19H2,1H3
InChIKeyGIQPTEKUWUVNSC-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.02
Rot. Bonds5

About [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine

[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 107741569) has the molecular formula C15H14Br3NO2 and a molecular weight of 479.99 g/mol. Its IUPAC name is [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID107741569
Molecular FormulaC15H14Br3NO2
Molecular Weight479.99 g/mol
Exact Mass476.86
IUPAC Name[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(Br)c(COc2c(Br)cc(CN)cc2Br)c1
InChIInChI=1S/C15H14Br3NO2/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-6H,7-8,19H2,1H3
InChIKeyGIQPTEKUWUVNSC-UHFFFAOYSA-N
XLogP5.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
[2-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dichlorophenyl]methanol
CID 65322928
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-chloroaniline
CID 65322559
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
CID 65324002

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine (CID 107741569) is [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(Br)c(COc2c(Br)cc(CN)cc2Br)c1.
What is the InChIKey of [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is GIQPTEKUWUVNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO2/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-6H,7-8,19H2,1H3.
What are the key properties of [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine?
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 479.99 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107741569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).