N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine

C15H17Br2NO2 — CID 62084477

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)c(Br)o1)c1ccccc1OC
InChIInChI=1S/C15H17Br2NO2/c1-3-13(11-6-4-5-7-14(11)19-2)18-9-10-8-12(16)15(17)20-10/h4-8,13,18H,3,9H2,1-2H3
InChIKeyPKSWFNUNLOLESF-UHFFFAOYSA-N
MW403.11 g/mol
LogP5.05
Rot. Bonds6

About N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine

N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 62084477) has the molecular formula C15H17Br2NO2 and a molecular weight of 403.11 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID62084477
Molecular FormulaC15H17Br2NO2
Molecular Weight403.11 g/mol
Exact Mass400.96
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc(Br)c(Br)o1)c1ccccc1OC
InChIInChI=1S/C15H17Br2NO2/c1-3-13(11-6-4-5-7-14(11)19-2)18-9-10-8-12(16)15(17)20-10/h4-8,13,18H,3,9H2,1-2H3
InChIKeyPKSWFNUNLOLESF-UHFFFAOYSA-N
XLogP5.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.11
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103943680
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 62083622
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61206657
2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
CID 82761842
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine (CID 62084477) is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCc1cc(Br)c(Br)o1)c1ccccc1OC.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is PKSWFNUNLOLESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO2/c1-3-13(11-6-4-5-7-14(11)19-2)18-9-10-8-12(16)15(17)20-10/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 403.11 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 62084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).