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

C12H13Br2NOS — CID 43497829

IUPACN-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-5-15-11(9-4-3-6-16-9)8-7-10(13)17-12(8)14/h3-4,6-7,11,15H,2,5H2,1H3
InChIKeyLZASRFRPGLLLIU-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.96
Rot. Bonds5

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

N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 43497829) has the molecular formula C12H13Br2NOS and a molecular weight of 379.12 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID43497829
Molecular FormulaC12H13Br2NOS
Molecular Weight379.12 g/mol
Exact Mass376.91
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-5-15-11(9-4-3-6-16-9)8-7-10(13)17-12(8)14/h3-4,6-7,11,15H,2,5H2,1H3
InChIKeyLZASRFRPGLLLIU-UHFFFAOYSA-N
XLogP4.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(2,5-dibromothiophen-3-yl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107961368
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152977
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine (CID 43497829) is N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is LZASRFRPGLLLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NOS/c1-2-5-15-11(9-4-3-6-16-9)8-7-10(13)17-12(8)14/h3-4,6-7,11,15H,2,5H2,1H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 379.12 g/mol, XLogP of 4.96, 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)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).