1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

C18H19Br2N3O2 — CID 55870227

IUPAC1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
SMILESCCOc1c(Br)cc(CNCc2cn3cc(Br)ccc3n2)cc1OC
InChIInChI=1S/C18H19Br2N3O2/c1-3-25-18-15(20)6-12(7-16(18)24-2)8-21-9-14-11-23-10-13(19)4-5-17(23)22-14/h4-7,10-11,21H,3,8-9H2,1-2H3
InChIKeyTZWJRYLQSKWCAP-UHFFFAOYSA-N
MW469.18 g/mol
LogP4.56
Rot. Bonds7

About 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine (PubChem CID 55870227) has the molecular formula C18H19Br2N3O2 and a molecular weight of 469.18 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
PubChem CID55870227
Molecular FormulaC18H19Br2N3O2
Molecular Weight469.18 g/mol
Exact Mass466.98
IUPAC Name1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
SMILESCCOc1c(Br)cc(CNCc2cn3cc(Br)ccc3n2)cc1OC
InChIInChI=1S/C18H19Br2N3O2/c1-3-25-18-15(20)6-12(7-16(18)24-2)8-21-9-14-11-23-10-13(19)4-5-17(23)22-14/h4-7,10-11,21H,3,8-9H2,1-2H3
InChIKeyTZWJRYLQSKWCAP-UHFFFAOYSA-N
XLogP4.56
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.18
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(4-bromothiophen-2-yl)methyl]methanamine
CID 60958221
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 60615929
4-[[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17295691
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]but-2-yn-1-amine
CID 115866429
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291767
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17292240
(1R)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 30620804
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208159
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60551625
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594116
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29227314
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine (CID 55870227) is 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine is CCOc1c(Br)cc(CNCc2cn3cc(Br)ccc3n2)cc1OC.
What is the InChIKey of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The InChIKey is TZWJRYLQSKWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N3O2/c1-3-25-18-15(20)6-12(7-16(18)24-2)8-21-9-14-11-23-10-13(19)4-5-17(23)22-14/h4-7,10-11,21H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine has a molecular weight of 469.18 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine is sourced from PubChem (CID 55870227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).