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

C12H13Br2NOS — CID 105150670

IUPACN-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1occc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-4-15-11(8-6-10(14)17-7-8)12-9(13)3-5-16-12/h3,5-7,11,15H,2,4H2,1H3
InChIKeyQMBPJUYIVYZEKX-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.96
Rot. Bonds5

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

N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine (PubChem CID 105150670) has the molecular formula C12H13Br2NOS and a molecular weight of 379.12 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
PubChem CID105150670
Molecular FormulaC12H13Br2NOS
Molecular Weight379.12 g/mol
Exact Mass376.91
IUPAC NameN-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1occc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-4-15-11(8-6-10(14)17-7-8)12-9(13)3-5-16-12/h3,5-7,11,15H,2,4H2,1H3
InChIKeyQMBPJUYIVYZEKX-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-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 107960815
N-[(5-bromothiophen-3-yl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 105142114
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine (CID 105150670) is N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(Br)c1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is QMBPJUYIVYZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NOS/c1-2-4-15-11(8-6-10(14)17-7-8)12-9(13)3-5-16-12/h3,5-7,11,15H,2,4H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-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-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105150670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).