N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine

C16H19NO3 — CID 63949144

IUPACN-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)c(-c2ccoc2)cc1OC
InChIInChI=1S/C16H19NO3/c1-18-15-7-12(9-17-13-3-4-13)14(8-16(15)19-2)11-5-6-20-10-11/h5-8,10,13,17H,3-4,9H2,1-2H3
InChIKeyBGNYHJBDOVXYGU-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.22
Rot. Bonds6

About N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine

N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine (PubChem CID 63949144) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine
PubChem CID63949144
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)c(-c2ccoc2)cc1OC
InChIInChI=1S/C16H19NO3/c1-18-15-7-12(9-17-13-3-4-13)14(8-16(15)19-2)11-5-6-20-10-11/h5-8,10,13,17H,3-4,9H2,1-2H3
InChIKeyBGNYHJBDOVXYGU-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine (CID 63949144) is N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)c(-c2ccoc2)cc1OC.
What is the InChIKey of N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine?
The InChIKey is BGNYHJBDOVXYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-7-12(9-17-13-3-4-13)14(8-16(15)19-2)11-5-6-20-10-11/h5-8,10,13,17H,3-4,9H2,1-2H3.
What are the key properties of N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine?
N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine has a molecular weight of 273.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63949144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).