N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

C17H18BrNO2 — CID 105045147

IUPACN-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H18BrNO2/c1-3-8-19-17(14-6-7-16(18)21-14)15-10-12-9-11(2)4-5-13(12)20-15/h4-7,9-10,17,19H,3,8H2,1-2H3
InChIKeyQNCZTZAELWMXGY-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.19
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 105045147) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID105045147
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H18BrNO2/c1-3-8-19-17(14-6-7-16(18)21-14)15-10-12-9-11(2)4-5-13(12)20-15/h4-7,9-10,17,19H,3,8H2,1-2H3
InChIKeyQNCZTZAELWMXGY-UHFFFAOYSA-N
XLogP5.19
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
1-(5-ethylfuran-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045342
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 105045147) is N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)o1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is QNCZTZAELWMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-8-19-17(14-6-7-16(18)21-14)15-10-12-9-11(2)4-5-13(12)20-15/h4-7,9-10,17,19H,3,8H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 348.24 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105045147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).