[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine

C15H15Br2NO2 — CID 79416158

IUPAC[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)c(OCc2cccc(CN)c2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-14-6-13(17)15(7-12(14)16)20-9-11-4-2-3-10(5-11)8-18/h2-7H,8-9,18H2,1H3
InChIKeyZPHHMZVLQAZQFJ-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.26
Rot. Bonds5

About [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine

[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 79416158) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
PubChem CID79416158
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)c(OCc2cccc(CN)c2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-14-6-13(17)15(7-12(14)16)20-9-11-4-2-3-10(5-11)8-18/h2-7H,8-9,18H2,1H3
InChIKeyZPHHMZVLQAZQFJ-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-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 79406092
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
2-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]aniline
CID 115557562
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403480
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-(methoxymethyl)phenyl]methanamine
CID 16787292

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine (CID 79416158) is [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine is COc1cc(Br)c(OCc2cccc(CN)c2)cc1Br.
What is the InChIKey of [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is ZPHHMZVLQAZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-14-6-13(17)15(7-12(14)16)20-9-11-4-2-3-10(5-11)8-18/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine?
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]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-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 79416158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).