N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine

C17H19BrN2O — CID 83138147

IUPACN-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(CNC3CC3)c(C)n2)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-9-15(6-7-16(11)18)21-17-8-3-13(12(2)20-17)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3
InChIKeyJSBSSEDJTVZNLJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.51
Rot. Bonds5

About N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 83138147) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID83138147
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(CNC3CC3)c(C)n2)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-9-15(6-7-16(11)18)21-17-8-3-13(12(2)20-17)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3
InChIKeyJSBSSEDJTVZNLJ-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methanamine
CID 83135138
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138177
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 83138147) is N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2ccc(CNC3CC3)c(C)n2)ccc1Br.
What is the InChIKey of N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JSBSSEDJTVZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-9-15(6-7-16(11)18)21-17-8-3-13(12(2)20-17)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3.
What are the key properties of N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 347.26 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 83138147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).