N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride

C10H16ClF3N2S — CID 120843626

IUPACN,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C(F)(F)F)s1.Cl
InChIInChI=1S/C10H15F3N2S.ClH/c1-14-5-6-15(2)7-8-3-4-9(16-8)10(11,12)13;/h3-4,14H,5-7H2,1-2H3;1H
InChIKeyGLHGUOVZVCZEJW-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.84
Rot. Bonds5

About N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride

N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120843626) has the molecular formula C10H16ClF3N2S and a molecular weight of 288.77 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120843626
Molecular FormulaC10H16ClF3N2S
Molecular Weight288.77 g/mol
Exact Mass288.07
IUPAC NameN,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C(F)(F)F)s1.Cl
InChIInChI=1S/C10H15F3N2S.ClH/c1-14-5-6-15(2)7-8-3-4-9(16-8)10(11,12)13;/h3-4,14H,5-7H2,1-2H3;1H
InChIKeyGLHGUOVZVCZEJW-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896
methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
CID 62010884
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843682
2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
CID 83674797
N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 172554757
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride (CID 120843626) is N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1ccc(C(F)(F)F)s1.Cl.
What is the InChIKey of N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is GLHGUOVZVCZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S.ClH/c1-14-5-6-15(2)7-8-3-4-9(16-8)10(11,12)13;/h3-4,14H,5-7H2,1-2H3;1H.
What are the key properties of N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride?
N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120843626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).