N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine

C15H18BrNO — CID 113303052

IUPACN-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1cc(Br)cc2cc(CNC3CC3)oc12
InChIInChI=1S/C15H18BrNO/c1-9(2)14-7-11(16)5-10-6-13(18-15(10)14)8-17-12-3-4-12/h5-7,9,12,17H,3-4,8H2,1-2H3
InChIKeyYZZGTNNNWGSINL-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.57
Rot. Bonds4

About N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 113303052) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID113303052
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1cc(Br)cc2cc(CNC3CC3)oc12
InChIInChI=1S/C15H18BrNO/c1-9(2)14-7-11(16)5-10-6-13(18-15(10)14)8-17-12-3-4-12/h5-7,9,12,17H,3-4,8H2,1-2H3
InChIKeyYZZGTNNNWGSINL-UHFFFAOYSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 115402991
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 113303050
(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol
CID 115402974
N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65438821
N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440163
N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438424
2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
CID 117182713
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
CID 117179242
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
(5-methyl-7-propan-2-yl-1-benzofuran-2-yl)methanol
CID 139376562

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 113303052) is N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine is CC(C)c1cc(Br)cc2cc(CNC3CC3)oc12.
What is the InChIKey of N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is YZZGTNNNWGSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-9(2)14-7-11(16)5-10-6-13(18-15(10)14)8-17-12-3-4-12/h5-7,9,12,17H,3-4,8H2,1-2H3.
What are the key properties of N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 308.22 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 113303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).