1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine

C16H19F3N2OS — CID 78829971

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(SC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C16H19F3N2OS/c1-21(2)14(15-4-3-9-22-15)11-20-10-12-5-7-13(8-6-12)23-16(17,18)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyIEBSLOJCCCVXPS-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.28
Rot. Bonds7

About 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 78829971) has the molecular formula C16H19F3N2OS and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID78829971
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(SC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C16H19F3N2OS/c1-21(2)14(15-4-3-9-22-15)11-20-10-12-5-7-13(8-6-12)23-16(17,18)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyIEBSLOJCCCVXPS-UHFFFAOYSA-N
XLogP4.28
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 16775123
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propane-1,2-diol
CID 66176743
1,1-dimethyl-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hydrazine
CID 83006252

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine (CID 78829971) is 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine is CN(C)C(CNCc1ccc(SC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is IEBSLOJCCCVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c1-21(2)14(15-4-3-9-22-15)11-20-10-12-5-7-13(8-6-12)23-16(17,18)19/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 344.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 78829971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).