N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine

C14H14BrClN2O — CID 55058464

IUPACN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-2-17-8-10-6-13(16)14(18-9-10)19-12-5-3-4-11(15)7-12/h3-7,9,17H,2,8H2,1H3
InChIKeyIQCCZZIVRJUDFZ-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.40
Rot. Bonds5

About N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine

N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (PubChem CID 55058464) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
PubChem CID55058464
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC NameN-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-2-17-8-10-6-13(16)14(18-9-10)19-12-5-3-4-11(15)7-12/h3-7,9,17H,2,8H2,1H3
InChIKeyIQCCZZIVRJUDFZ-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323927
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine (CID 55058464) is N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(Oc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
The InChIKey is IQCCZZIVRJUDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-17-8-10-6-13(16)14(18-9-10)19-12-5-3-4-11(15)7-12/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine?
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine has a molecular weight of 341.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55058464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).