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

C15H15Br2NO2 — CID 63045813

IUPAC[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2Br)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyBNAFMYIGYTUNOD-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.26
Rot. Bonds5

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

[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 63045813) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID63045813
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2ccc(CN)cc2Br)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyBNAFMYIGYTUNOD-UHFFFAOYSA-N
XLogP4.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
CID 155798142
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79800696
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine (CID 63045813) is [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(COc2ccc(CN)cc2Br)cc1Br.
What is the InChIKey of [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is BNAFMYIGYTUNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine?
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 401.10 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63045813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).