N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C17H19Br2NO2 — CID 78902255

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H19Br2NO2/c1-21-11-13-5-3-4-12(6-13)9-20-10-14-7-15(18)8-16(19)17(14)22-2/h3-8,20H,9-11H2,1-2H3
InChIKeyHFBULHCXMWSYCK-UHFFFAOYSA-N
MW429.15 g/mol
LogP4.66
Rot. Bonds7

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 78902255) has the molecular formula C17H19Br2NO2 and a molecular weight of 429.15 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID78902255
Molecular FormulaC17H19Br2NO2
Molecular Weight429.15 g/mol
Exact Mass426.98
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H19Br2NO2/c1-21-11-13-5-3-4-12(6-13)9-20-10-14-7-15(18)8-16(19)17(14)22-2/h3-8,20H,9-11H2,1-2H3
InChIKeyHFBULHCXMWSYCK-UHFFFAOYSA-N
XLogP4.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.15
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902256
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 78902255) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2cc(Br)cc(Br)c2OC)c1.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is HFBULHCXMWSYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO2/c1-21-11-13-5-3-4-12(6-13)9-20-10-14-7-15(18)8-16(19)17(14)22-2/h3-8,20H,9-11H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 429.15 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 78902255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).