1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride

C17H22Cl2N2O2 — CID 68528703

IUPAC1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride
SMILESCNC1(COc2cncc(-c3ccc(OC)cc3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H20N2O2.2ClH/c1-18-17(7-8-17)12-21-16-9-14(10-19-11-16)13-3-5-15(20-2)6-4-13;;/h3-6,9-11,18H,7-8,12H2,1-2H3;2*1H
InChIKeyKYLUDXDZNASPDW-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.73
Rot. Bonds6

About 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride

1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride (PubChem CID 68528703) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride
PubChem CID68528703
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride
SMILESCNC1(COc2cncc(-c3ccc(OC)cc3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H20N2O2.2ClH/c1-18-17(7-8-17)12-21-16-9-14(10-19-11-16)13-3-5-15(20-2)6-4-13;;/h3-6,9-11,18H,7-8,12H2,1-2H3;2*1H
InChIKeyKYLUDXDZNASPDW-UHFFFAOYSA-N
XLogP3.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride (CID 68528703) is 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride is CNC1(COc2cncc(-c3ccc(OC)cc3)c2)CC1.Cl.Cl.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride?
The InChIKey is KYLUDXDZNASPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.2ClH/c1-18-17(7-8-17)12-21-16-9-14(10-19-11-16)13-3-5-15(20-2)6-4-13;;/h3-6,9-11,18H,7-8,12H2,1-2H3;2*1H.
What are the key properties of 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride?
1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride has a molecular weight of 357.28 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 68528703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).