N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

C16H20N2O2 — CID 62455562

IUPACN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CCOCc2occc2CNC2CC2)nc1
InChIInChI=1S/C16H20N2O2/c1-2-8-17-14(3-1)7-9-19-12-16-13(6-10-20-16)11-18-15-4-5-15/h1-3,6,8,10,15,18H,4-5,7,9,11-12H2
InChIKeyXHWSXBMVPRLVGQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds8

About N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62455562) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62455562
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CCOCc2occc2CNC2CC2)nc1
InChIInChI=1S/C16H20N2O2/c1-2-8-17-14(3-1)7-9-19-12-16-13(6-10-20-16)11-18-15-4-5-15/h1-3,6,8,10,15,18H,4-5,7,9,11-12H2
InChIKeyXHWSXBMVPRLVGQ-UHFFFAOYSA-N
XLogP2.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
N-[[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62484757
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62449785
N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444616

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62455562) is N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is c1ccc(CCOCc2occc2CNC2CC2)nc1.
What is the InChIKey of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is XHWSXBMVPRLVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-8-17-14(3-1)7-9-19-12-16-13(6-10-20-16)11-18-15-4-5-15/h1-3,6,8,10,15,18H,4-5,7,9,11-12H2.
What are the key properties of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 272.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62455562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).