N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine

C15H20BrNO — CID 114376599

IUPACN-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2c(Br)cccc2c1C(C)C
InChIInChI=1S/C15H20BrNO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyHZANXUMVFGAHFJ-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.82
Rot. Bonds4

About N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 114376599) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID114376599
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2c(Br)cccc2c1C(C)C
InChIInChI=1S/C15H20BrNO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyHZANXUMVFGAHFJ-UHFFFAOYSA-N
XLogP4.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377030
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-[(7-bromo-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81048826
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114376798
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[7-bromo-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376086
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 114376599) is N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is CC(C)NCc1oc2c(Br)cccc2c1C(C)C.
What is the InChIKey of N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is HZANXUMVFGAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 310.24 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114376599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).