N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine

C16H18N2O3 — CID 62296536

IUPACN-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C16H18N2O3/c1-11(2)17-8-12-3-6-16(18-9-12)21-13-4-5-14-15(7-13)20-10-19-14/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyVDTBTVMTMWLFIC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.10
Rot. Bonds5

About N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62296536) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62296536
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C16H18N2O3/c1-11(2)17-8-12-3-6-16(18-9-12)21-13-4-5-14-15(7-13)20-10-19-14/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyVDTBTVMTMWLFIC-UHFFFAOYSA-N
XLogP3.10
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
2-(1,3-benzodioxol-5-yloxy)-5-butan-2-ylpyridine
CID 70948992
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine (CID 62296536) is N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VDTBTVMTMWLFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)17-8-12-3-6-16(18-9-12)21-13-4-5-14-15(7-13)20-10-19-14/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 286.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).