N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C17H20N2O — CID 62298316

IUPACN-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cccc(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-6-9-16(13(2)10-12)20-17-5-3-4-15(19-17)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11H2,1-2H3
InChIKeyZXDICQIQMFZTDT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds5

About N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62298316) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62298316
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cccc(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-6-9-16(13(2)10-12)20-17-5-3-4-15(19-17)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11H2,1-2H3
InChIKeyZXDICQIQMFZTDT-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 62293980
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
6-(2,4-dimethylphenoxy)-N-methylpyridin-2-amine
CID 80863130

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62298316) is N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Oc2cccc(CNC3CC3)n2)c(C)c1.
What is the InChIKey of N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZXDICQIQMFZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-9-16(13(2)10-12)20-17-5-3-4-15(19-17)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11H2,1-2H3.
What are the key properties of N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62298316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).