N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H14BrF3N2S — CID 62557186

IUPACN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)Cc1csc(Br)c1
InChIInChI=1S/C10H14BrF3N2S/c1-16(3-2-15-7-10(12,13)14)5-8-4-9(11)17-6-8/h4,6,15H,2-3,5,7H2,1H3
InChIKeyJFXLGCMYSBGDMO-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.09
Rot. Bonds6

About N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62557186) has the molecular formula C10H14BrF3N2S and a molecular weight of 331.20 g/mol. Its IUPAC name is N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62557186
Molecular FormulaC10H14BrF3N2S
Molecular Weight331.20 g/mol
Exact Mass330.00
IUPAC NameN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)Cc1csc(Br)c1
InChIInChI=1S/C10H14BrF3N2S/c1-16(3-2-15-7-10(12,13)14)5-8-4-9(11)17-6-8/h4,6,15H,2-3,5,7H2,1H3
InChIKeyJFXLGCMYSBGDMO-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 43432019
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
N'-methyl-N'-[(4-methylphenyl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62574152
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
2-[1-(aminomethyl)cyclobutyl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 81171238

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62557186) is N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCC(F)(F)F)Cc1csc(Br)c1.
What is the InChIKey of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JFXLGCMYSBGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N2S/c1-16(3-2-15-7-10(12,13)14)5-8-4-9(11)17-6-8/h4,6,15H,2-3,5,7H2,1H3.
What are the key properties of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 331.20 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).