[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine

C15H16Br2N2O2 — CID 104796211

IUPAC[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1ccc(Br)cn1
InChIInChI=1S/C15H16Br2N2O2/c1-2-20-14-6-10(7-18)5-13(17)15(14)21-9-12-4-3-11(16)8-19-12/h3-6,8H,2,7,9,18H2,1H3
InChIKeyQUOUTDHKVWKTBP-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.04
Rot. Bonds6

About [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine

[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine (PubChem CID 104796211) has the molecular formula C15H16Br2N2O2 and a molecular weight of 416.11 g/mol. Its IUPAC name is [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine
PubChem CID104796211
Molecular FormulaC15H16Br2N2O2
Molecular Weight416.11 g/mol
Exact Mass413.96
IUPAC Name[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1ccc(Br)cn1
InChIInChI=1S/C15H16Br2N2O2/c1-2-20-14-6-10(7-18)5-13(17)15(14)21-9-12-4-3-11(16)8-19-12/h3-6,8H,2,7,9,18H2,1H3
InChIKeyQUOUTDHKVWKTBP-UHFFFAOYSA-N
XLogP4.04
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60887547
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61497341
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
[3-bromo-5-ethoxy-4-(2-methylidenebutoxy)phenyl]methanamine
CID 66045664
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
[3-bromo-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60888518
[3-bromo-5-ethoxy-4-(2-methoxypropoxy)phenyl]methanamine
CID 113382696
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
(3-bromo-5-ethoxy-4-hept-6-enoxyphenyl)methanamine
CID 107006117
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine (CID 104796211) is [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine is CCOc1cc(CN)cc(Br)c1OCc1ccc(Br)cn1.
What is the InChIKey of [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine?
The InChIKey is QUOUTDHKVWKTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O2/c1-2-20-14-6-10(7-18)5-13(17)15(14)21-9-12-4-3-11(16)8-19-12/h3-6,8H,2,7,9,18H2,1H3.
What are the key properties of [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine?
[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine has a molecular weight of 416.11 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine is sourced from PubChem (CID 104796211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).