N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine

C15H15Br2ClN2O — CID 107742115

IUPACN-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)c(OCc2ccncc2Cl)c(Br)c1
InChIInChI=1S/C15H15Br2ClN2O/c1-2-19-7-10-5-12(16)15(13(17)6-10)21-9-11-3-4-20-8-14(11)18/h3-6,8,19H,2,7,9H2,1H3
InChIKeyNSNMROCOSJROFO-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.95
Rot. Bonds6

About N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine

N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 107742115) has the molecular formula C15H15Br2ClN2O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
PubChem CID107742115
Molecular FormulaC15H15Br2ClN2O
Molecular Weight434.56 g/mol
Exact Mass431.92
IUPAC NameN-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)c(OCc2ccncc2Cl)c(Br)c1
InChIInChI=1S/C15H15Br2ClN2O/c1-2-19-7-10-5-12(16)15(13(17)6-10)21-9-11-3-4-20-8-14(11)18/h3-6,8,19H,2,7,9H2,1H3
InChIKeyNSNMROCOSJROFO-UHFFFAOYSA-N
XLogP4.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891927
N-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742220
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289290
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292621
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
N-[[3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107742257
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741801
N'-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215806

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine (CID 107742115) is N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Br)c(OCc2ccncc2Cl)c(Br)c1.
What is the InChIKey of N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is NSNMROCOSJROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2ClN2O/c1-2-19-7-10-5-12(16)15(13(17)6-10)21-9-11-3-4-20-8-14(11)18/h3-6,8,19H,2,7,9H2,1H3.
What are the key properties of N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 434.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).