1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine

C12H14BrNOS — CID 115627577

IUPAC1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)s2)c(C)o1
InChIInChI=1S/C12H14BrNOS/c1-8-5-10(9(2)15-8)6-14-7-11-3-4-12(13)16-11/h3-5,14H,6-7H2,1-2H3
InChIKeyMOCTWZNYLOTJNO-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.01
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine (PubChem CID 115627577) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
PubChem CID115627577
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)s2)c(C)o1
InChIInChI=1S/C12H14BrNOS/c1-8-5-10(9(2)15-8)6-14-7-11-3-4-12(13)16-11/h3-5,14H,6-7H2,1-2H3
InChIKeyMOCTWZNYLOTJNO-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.01
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
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60743938
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
CID 62347257
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60744317
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine (CID 115627577) is 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine is Cc1cc(CNCc2ccc(Br)s2)c(C)o1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine?
The InChIKey is MOCTWZNYLOTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-8-5-10(9(2)15-8)6-14-7-11-3-4-12(13)16-11/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine has a molecular weight of 300.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine is sourced from PubChem (CID 115627577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).