[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H14BrCl2NO2 — CID 60888896

IUPAC[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14BrCl2NO2/c1-20-14-6-9(7-19)5-11(16)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-6H,7-8,19H2,1H3
InChIKeyBJOPYUMMPRIXGS-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.80
Rot. Bonds5

About [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine

[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 60888896) has the molecular formula C15H14BrCl2NO2 and a molecular weight of 391.09 g/mol. Its IUPAC name is [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID60888896
Molecular FormulaC15H14BrCl2NO2
Molecular Weight391.09 g/mol
Exact Mass388.96
IUPAC Name[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14BrCl2NO2/c1-20-14-6-9(7-19)5-11(16)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-6H,7-8,19H2,1H3
InChIKeyBJOPYUMMPRIXGS-UHFFFAOYSA-N
XLogP4.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
(2S)-N-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 51991371
(2S)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996976
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
(E)-3-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 134612729
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
N-(1H-benzimidazol-2-ylmethyl)-1-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66526612
(2S)-1-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996984

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 60888896) is [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Br)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is BJOPYUMMPRIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2/c1-20-14-6-9(7-19)5-11(16)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-6H,7-8,19H2,1H3.
What are the key properties of [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 391.09 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).