N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine

C14H16BrN3O — CID 82831544

IUPACN-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccccc2Br)nn1
InChIInChI=1S/C14H16BrN3O/c1-2-16-9-12-7-8-14(18-17-12)19-10-11-5-3-4-6-13(11)15/h3-8,16H,2,9-10H2,1H3
InChIKeyUVFCUAWHYXJRTF-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.93
Rot. Bonds6

About N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine

N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine (PubChem CID 82831544) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
PubChem CID82831544
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccccc2Br)nn1
InChIInChI=1S/C14H16BrN3O/c1-2-16-9-12-7-8-14(18-17-12)19-10-11-5-3-4-6-13(11)15/h3-8,16H,2,9-10H2,1H3
InChIKeyUVFCUAWHYXJRTF-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
1-[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]-N-methylmethanamine
CID 63936765
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297651
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
N-[(6-bromopyridazin-3-yl)methyl]ethanamine
CID 163383302
1-[6-[(2-bromophenyl)methoxy]-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82832072
5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828442
6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 82825468

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine (CID 82831544) is N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(OCc2ccccc2Br)nn1.
What is the InChIKey of N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine?
The InChIKey is UVFCUAWHYXJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-16-9-12-7-8-14(18-17-12)19-10-11-5-3-4-6-13(11)15/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine?
N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 82831544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).