N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

C15H19Br2NOS — CID 65152977

IUPACN-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)c1c(C)oc(C)c1C
InChIInChI=1S/C15H19Br2NOS/c1-5-6-18-14(11-7-12(16)20-15(11)17)13-8(2)9(3)19-10(13)4/h7,14,18H,5-6H2,1-4H3
InChIKeyRJXRYRNGCZZDOQ-UHFFFAOYSA-N
MW421.20 g/mol
LogP5.88
Rot. Bonds5

About N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 65152977) has the molecular formula C15H19Br2NOS and a molecular weight of 421.20 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID65152977
Molecular FormulaC15H19Br2NOS
Molecular Weight421.20 g/mol
Exact Mass418.96
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)c1c(C)oc(C)c1C
InChIInChI=1S/C15H19Br2NOS/c1-5-6-18-14(11-7-12(16)20-15(11)17)13-8(2)9(3)19-10(13)4/h7,14,18H,5-6H2,1-4H3
InChIKeyRJXRYRNGCZZDOQ-UHFFFAOYSA-N
XLogP5.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.20
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152926
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromothiophen-3-yl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107961368
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 115852570
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (CID 65152977) is N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)sc1Br)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is RJXRYRNGCZZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NOS/c1-5-6-18-14(11-7-12(16)20-15(11)17)13-8(2)9(3)19-10(13)4/h7,14,18H,5-6H2,1-4H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 421.20 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65152977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).