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

C16H21NO2 — CID 114375304

IUPACN-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2/c1-3-4-13-14-9-12(18-2)7-8-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyXGFIGGGKDDSIBI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.65
Rot. Bonds6

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

N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114375304) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114375304
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2/c1-3-4-13-14-9-12(18-2)7-8-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyXGFIGGGKDDSIBI-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114376722
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
N-[(3-ethyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
CID 104842941
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 114375304) is N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is CCCc1c(CNC2CC2)oc2ccc(OC)cc12.
What is the InChIKey of N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is XGFIGGGKDDSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-4-13-14-9-12(18-2)7-8-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 259.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114375304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).