N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine

C18H21NO2 — CID 106888739

IUPACN-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCC1(C)Cc2cc(-c3ccoc3CNC3CC3)ccc2O1
InChIInChI=1S/C18H21NO2/c1-18(2)10-13-9-12(3-6-16(13)21-18)15-7-8-20-17(15)11-19-14-4-5-14/h3,6-9,14,19H,4-5,10-11H2,1-2H3
InChIKeyYFPKBRZNJMFZME-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.91
Rot. Bonds4

About N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888739) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888739
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCC1(C)Cc2cc(-c3ccoc3CNC3CC3)ccc2O1
InChIInChI=1S/C18H21NO2/c1-18(2)10-13-9-12(3-6-16(13)21-18)15-7-8-20-17(15)11-19-14-4-5-14/h3,6-9,14,19H,4-5,10-11H2,1-2H3
InChIKeyYFPKBRZNJMFZME-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
CID 62325434
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
CID 80717280
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine
CID 83486317
2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
CID 111977137
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine (CID 106888739) is N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine is CC1(C)Cc2cc(-c3ccoc3CNC3CC3)ccc2O1.
What is the InChIKey of N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is YFPKBRZNJMFZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)10-13-9-12(3-6-16(13)21-18)15-7-8-20-17(15)11-19-14-4-5-14/h3,6-9,14,19H,4-5,10-11H2,1-2H3.
What are the key properties of N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 283.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).