N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine

C12H14BrNOS — CID 62347257

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(CNCc2ccc(Br)s2)o1
InChIInChI=1S/C12H14BrNOS/c1-2-9-3-4-10(15-9)7-14-8-11-5-6-12(13)16-11/h3-6,14H,2,7-8H2,1H3
InChIKeySJLDWKHRGJIDEV-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.96
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine (PubChem CID 62347257) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
PubChem CID62347257
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(CNCc2ccc(Br)s2)o1
InChIInChI=1S/C12H14BrNOS/c1-2-9-3-4-10(15-9)7-14-8-11-5-6-12(13)16-11/h3-6,14H,2,7-8H2,1H3
InChIKeySJLDWKHRGJIDEV-UHFFFAOYSA-N
XLogP3.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
CID 115646593
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 65149874
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731897
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620
(E)-N-[(5-bromothiophen-2-yl)methyl]but-2-en-1-amine
CID 107898810
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine (CID 62347257) is N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine is CCc1ccc(CNCc2ccc(Br)s2)o1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine?
The InChIKey is SJLDWKHRGJIDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-2-9-3-4-10(15-9)7-14-8-11-5-6-12(13)16-11/h3-6,14H,2,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine has a molecular weight of 300.22 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 62347257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).