N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine

C15H15BrCl2N2O — CID 104796203

IUPACN-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C15H15BrCl2N2O/c1-2-19-7-10-5-12(17)6-14(18)15(10)21-9-13-4-3-11(16)8-20-13/h3-6,8,19H,2,7,9H2,1H3
InChIKeyXVAVMGDFDPAGFA-UHFFFAOYSA-N
MW390.11 g/mol
LogP4.84
Rot. Bonds6

About N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine

N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine (PubChem CID 104796203) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
PubChem CID104796203
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C15H15BrCl2N2O/c1-2-19-7-10-5-12(17)6-14(18)15(10)21-9-13-4-3-11(16)8-20-13/h3-6,8,19H,2,7,9H2,1H3
InChIKeyXVAVMGDFDPAGFA-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.11
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
N-[[3,5-dichloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 60887514
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine (CID 104796203) is N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cn1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine?
The InChIKey is XVAVMGDFDPAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/c1-2-19-7-10-5-12(17)6-14(18)15(10)21-9-13-4-3-11(16)8-20-13/h3-6,8,19H,2,7,9H2,1H3.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine?
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine has a molecular weight of 390.11 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine is sourced from PubChem (CID 104796203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).