1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine

C13H17BrN2OS — CID 62462608

IUPAC1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1CN(C)Cc1csc(Br)c1
InChIInChI=1S/C13H17BrN2OS/c1-15-6-11-3-4-17-12(11)8-16(2)7-10-5-13(14)18-9-10/h3-5,9,15H,6-8H2,1-2H3
InChIKeyGUUPLOIHJUFFJH-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.45
Rot. Bonds6

About 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine

1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62462608) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62462608
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1CN(C)Cc1csc(Br)c1
InChIInChI=1S/C13H17BrN2OS/c1-15-6-11-3-4-17-12(11)8-16(2)7-10-5-13(14)18-9-10/h3-5,9,15H,6-8H2,1-2H3
InChIKeyGUUPLOIHJUFFJH-UHFFFAOYSA-N
XLogP3.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434588
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine
CID 62462077
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148561
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170
N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462355
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 62464675
6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79244017
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine (CID 62462608) is 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine is CNCc1ccoc1CN(C)Cc1csc(Br)c1.
What is the InChIKey of 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is GUUPLOIHJUFFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c1-15-6-11-3-4-17-12(11)8-16(2)7-10-5-13(14)18-9-10/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine?
1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62462608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).