[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H14Br2FNO2 — CID 60887919

IUPAC[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C15H14Br2FNO2/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-3-11(18)6-12(10)16/h2-6H,7-8,19H2,1H3
InChIKeyZRRVDOHLQHDSLL-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.40
Rot. Bonds5

About [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 60887919) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID60887919
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C15H14Br2FNO2/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-3-11(18)6-12(10)16/h2-6H,7-8,19H2,1H3
InChIKeyZRRVDOHLQHDSLL-UHFFFAOYSA-N
XLogP4.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine with MolForge

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Related Compounds

(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
(2R)-1-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996982
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
2-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]acetic acid
CID 66528222

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 60887919) is [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Br)c1OCc1ccc(F)cc1Br.
What is the InChIKey of [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is ZRRVDOHLQHDSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c1-20-14-5-9(7-19)4-13(17)15(14)21-8-10-2-3-11(18)6-12(10)16/h2-6H,7-8,19H2,1H3.
What are the key properties of [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 419.09 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60887919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).