2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine

C15H19BrN2S — CID 104546961

IUPAC2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CNCc1ccc(Br)s1
InChIInChI=1S/C15H19BrN2S/c1-17-9-8-12-4-2-3-5-13(12)10-18-11-14-6-7-15(16)19-14/h2-7,17-18H,8-11H2,1H3
InChIKeyFDNFFBMYFHXSPD-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.56
Rot. Bonds7

About 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine

2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine (PubChem CID 104546961) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
PubChem CID104546961
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CNCc1ccc(Br)s1
InChIInChI=1S/C15H19BrN2S/c1-17-9-8-12-4-2-3-5-13(12)10-18-11-14-6-7-15(16)19-14/h2-7,17-18H,8-11H2,1H3
InChIKeyFDNFFBMYFHXSPD-UHFFFAOYSA-N
XLogP3.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
CID 104546912
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
CID 54900646
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302
2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
CID 106043701
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 113425638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine (CID 104546961) is 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine is CNCCc1ccccc1CNCc1ccc(Br)s1.
What is the InChIKey of 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine?
The InChIKey is FDNFFBMYFHXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-17-9-8-12-4-2-3-5-13(12)10-18-11-14-6-7-15(16)19-14/h2-7,17-18H,8-11H2,1H3.
What are the key properties of 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine?
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine has a molecular weight of 339.30 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 104546961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).