N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine

C14H14Br3NO — CID 106851675

IUPACN-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1ccoc1Br
InChIInChI=1S/C14H14Br3NO/c1-2-6-18-13(10-5-7-19-14(10)17)11-8-9(15)3-4-12(11)16/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyRYHNMZMLIAZQCN-UHFFFAOYSA-N
MW451.98 g/mol
LogP5.66
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine (PubChem CID 106851675) has the molecular formula C14H14Br3NO and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
PubChem CID106851675
Molecular FormulaC14H14Br3NO
Molecular Weight451.98 g/mol
Exact Mass448.86
IUPAC NameN-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1ccoc1Br
InChIInChI=1S/C14H14Br3NO/c1-2-6-18-13(10-5-7-19-14(10)17)11-8-9(15)3-4-12(11)16/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyRYHNMZMLIAZQCN-UHFFFAOYSA-N
XLogP5.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.98
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 43495287
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 106851874
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
CID 106851925
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-bromofuran-3-yl)methyl]propan-1-amine
CID 106858618
N-[(2-bromofuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]propan-1-amine
CID 106851786

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine (CID 106851675) is N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)ccc1Br)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The InChIKey is RYHNMZMLIAZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br3NO/c1-2-6-18-13(10-5-7-19-14(10)17)11-8-9(15)3-4-12(11)16/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine has a molecular weight of 451.98 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106851675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).