N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine

C16H16N2O3 — CID 62298280

IUPACN-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(Oc2ccc3c(c2)OCO3)c(CNC2CC2)c1
InChIInChI=1S/C16H16N2O3/c1-2-11(9-18-12-3-4-12)16(17-7-1)21-13-5-6-14-15(8-13)20-10-19-14/h1-2,5-8,12,18H,3-4,9-10H2
InChIKeyAPTVKLUJUXSBQX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.85
Rot. Bonds5

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

N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62298280) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62298280
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(Oc2ccc3c(c2)OCO3)c(CNC2CC2)c1
InChIInChI=1S/C16H16N2O3/c1-2-11(9-18-12-3-4-12)16(17-7-1)21-13-5-6-14-15(8-13)20-10-19-14/h1-2,5-8,12,18H,3-4,9-10H2
InChIKeyAPTVKLUJUXSBQX-UHFFFAOYSA-N
XLogP2.85
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43282414
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 63984255
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
CID 114055648
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
CID 22058434
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62298280) is N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine is c1cnc(Oc2ccc3c(c2)OCO3)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is APTVKLUJUXSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-11(9-18-12-3-4-12)16(17-7-1)21-13-5-6-14-15(8-13)20-10-19-14/h1-2,5-8,12,18H,3-4,9-10H2.
What are the key properties of N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 284.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62298280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).