N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine

C16H21NO3 — CID 114375003

IUPACN-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2c(OC)cc(C)cc12
InChIInChI=1S/C16H21NO3/c1-10-6-12-13(9-18-2)15(8-17-11-4-5-11)20-16(12)14(7-10)19-3/h6-7,11,17H,4-5,8-9H2,1-3H3
InChIKeyIVCBFLVKORPTDS-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds6

About N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 114375003) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID114375003
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2c(OC)cc(C)cc12
InChIInChI=1S/C16H21NO3/c1-10-6-12-13(9-18-2)15(8-17-11-4-5-11)20-16(12)14(7-10)19-3/h6-7,11,17H,4-5,8-9H2,1-3H3
InChIKeyIVCBFLVKORPTDS-UHFFFAOYSA-N
XLogP3.15
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(7-chloro-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113459857
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 81035438
N-[[7-bromo-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376086
N-[[4,6-difluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377249
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84645201

Frequently Asked Questions

What is the IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 114375003) is N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine is COCc1c(CNC2CC2)oc2c(OC)cc(C)cc12.
What is the InChIKey of N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is IVCBFLVKORPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-6-12-13(9-18-2)15(8-17-11-4-5-11)20-16(12)14(7-10)19-3/h6-7,11,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 275.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114375003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).