N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C17H19BrN2O — CID 107726012

IUPACN-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccnc(CNC3CC3)c2)cc(C)c1Br
InChIInChI=1S/C17H19BrN2O/c1-11-7-16(8-12(2)17(11)18)21-15-5-6-19-14(9-15)10-20-13-3-4-13/h5-9,13,20H,3-4,10H2,1-2H3
InChIKeyAGDZNZZFOSDENY-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.51
Rot. Bonds5

About N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 107726012) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID107726012
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccnc(CNC3CC3)c2)cc(C)c1Br
InChIInChI=1S/C17H19BrN2O/c1-11-7-16(8-12(2)17(11)18)21-15-5-6-19-14(9-15)10-20-13-3-4-13/h5-9,13,20H,3-4,10H2,1-2H3
InChIKeyAGDZNZZFOSDENY-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-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295902
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 83134272
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
CID 62293645
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120
N-[[4-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82791835
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62290018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 107726012) is N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2ccnc(CNC3CC3)c2)cc(C)c1Br.
What is the InChIKey of N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AGDZNZZFOSDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-7-16(8-12(2)17(11)18)21-15-5-6-19-14(9-15)10-20-13-3-4-13/h5-9,13,20H,3-4,10H2,1-2H3.
What are the key properties of N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-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-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107726012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).