N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

C15H19NO3 — CID 114375292

IUPACN-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-17-9-13-12-7-11(18-2)5-6-14(12)19-15(13)8-16-10-3-4-10/h5-7,10,16H,3-4,8-9H2,1-2H3
InChIKeyVCRGAUHCEXBZJO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.84
Rot. Bonds6

About N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 114375292) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID114375292
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-17-9-13-12-7-11(18-2)5-6-14(12)19-15(13)8-16-10-3-4-10/h5-7,10,16H,3-4,8-9H2,1-2H3
InChIKeyVCRGAUHCEXBZJO-UHFFFAOYSA-N
XLogP2.84
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
N-[[4,6-difluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377249
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 114375292) is N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is COCc1c(CNC2CC2)oc2ccc(OC)cc12.
What is the InChIKey of N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is VCRGAUHCEXBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-17-9-13-12-7-11(18-2)5-6-14(12)19-15(13)8-16-10-3-4-10/h5-7,10,16H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 261.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).