N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine

C16H18N2O3 — CID 62296181

IUPACN-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C16H18N2O3/c1-11(2)18-9-12-7-14(5-6-17-12)21-13-3-4-15-16(8-13)20-10-19-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyPNIOYWBPPZCJEM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.10
Rot. Bonds5

About N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62296181) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62296181
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C16H18N2O3/c1-11(2)18-9-12-7-14(5-6-17-12)21-13-3-4-15-16(8-13)20-10-19-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyPNIOYWBPPZCJEM-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-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297273
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62452164
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine (CID 62296181) is N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is PNIOYWBPPZCJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)18-9-12-7-14(5-6-17-12)21-13-3-4-15-16(8-13)20-10-19-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(1,3-benzodioxol-5-yloxy)-2-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-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).