N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H18N2O2 — CID 62298332

IUPACN-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCOc1cccc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H18N2O2/c1-19-14-5-3-6-15(10-14)20-16-7-2-4-13(18-16)11-17-12-8-9-12/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyNMGFXJSUJJPKLS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.13
Rot. Bonds6

About N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62298332) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62298332
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCOc1cccc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H18N2O2/c1-19-14-5-3-6-15(10-14)20-16-7-2-4-13(18-16)11-17-12-8-9-12/h2-7,10,12,17H,8-9,11H2,1H3
InChIKeyNMGFXJSUJJPKLS-UHFFFAOYSA-N
XLogP3.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62298332) is N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine is COc1cccc(Oc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NMGFXJSUJJPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-14-5-3-6-15(10-14)20-16-7-2-4-13(18-16)11-17-12-8-9-12/h2-7,10,12,17H,8-9,11H2,1H3.
What are the key properties of N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 270.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62298332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).