N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C18H21Br2NO2 — CID 78902256

IUPACN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCCOc1c(Br)cc(CNCc2cccc(COC)c2)cc1Br
InChIInChI=1S/C18H21Br2NO2/c1-3-23-18-16(19)8-15(9-17(18)20)11-21-10-13-5-4-6-14(7-13)12-22-2/h4-9,21H,3,10-12H2,1-2H3
InChIKeyMFBTXDVCYFNDNP-UHFFFAOYSA-N
MW443.18 g/mol
LogP5.05
Rot. Bonds8

About N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 78902256) has the molecular formula C18H21Br2NO2 and a molecular weight of 443.18 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID78902256
Molecular FormulaC18H21Br2NO2
Molecular Weight443.18 g/mol
Exact Mass440.99
IUPAC NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCCOc1c(Br)cc(CNCc2cccc(COC)c2)cc1Br
InChIInChI=1S/C18H21Br2NO2/c1-3-23-18-16(19)8-15(9-17(18)20)11-21-10-13-5-4-6-14(7-13)12-22-2/h4-9,21H,3,10-12H2,1-2H3
InChIKeyMFBTXDVCYFNDNP-UHFFFAOYSA-N
XLogP5.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.18
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43426257
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902255
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904272
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107742274
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17155625
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 78902256) is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is CCOc1c(Br)cc(CNCc2cccc(COC)c2)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is MFBTXDVCYFNDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NO2/c1-3-23-18-16(19)8-15(9-17(18)20)11-21-10-13-5-4-6-14(7-13)12-22-2/h4-9,21H,3,10-12H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 443.18 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 78902256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).