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

C15H14Br3NO2 — CID 107741586

IUPAC[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2c(Br)cc(CN)cc2Br)cc1Br
InChIInChI=1S/C15H14Br3NO2/c1-20-14-3-2-9(4-11(14)16)8-21-15-12(17)5-10(7-19)6-13(15)18/h2-6H,7-8,19H2,1H3
InChIKeyUNXBSKDDSCFIBA-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.02
Rot. Bonds5

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

[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 107741586) has the molecular formula C15H14Br3NO2 and a molecular weight of 479.99 g/mol. Its IUPAC name is [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID107741586
Molecular FormulaC15H14Br3NO2
Molecular Weight479.99 g/mol
Exact Mass476.86
IUPAC Name[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2c(Br)cc(CN)cc2Br)cc1Br
InChIInChI=1S/C15H14Br3NO2/c1-20-14-3-2-9(4-11(14)16)8-21-15-12(17)5-10(7-19)6-13(15)18/h2-6H,7-8,19H2,1H3
InChIKeyUNXBSKDDSCFIBA-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

[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine (CID 107741586) is [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(COc2c(Br)cc(CN)cc2Br)cc1Br.
What is the InChIKey of [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is UNXBSKDDSCFIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO2/c1-20-14-3-2-9(4-11(14)16)8-21-15-12(17)5-10(7-19)6-13(15)18/h2-6H,7-8,19H2,1H3.
What are the key properties of [3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
[3,5-dibromo-4-[(3-bromo-4-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-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).