N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine

C11H15F3N2S — CID 55030218

IUPACN-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
SMILESCCNC(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-2-16-10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,16H,2,7,15H2,1H3
InChIKeyYVUCJDPPWRFCJN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine

N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine (PubChem CID 55030218) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
PubChem CID55030218
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
SMILESCCNC(CN)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-2-16-10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,16H,2,7,15H2,1H3
InChIKeyYVUCJDPPWRFCJN-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171226809
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171226802
N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 65379231
(1R)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-1-amine
CID 171207274
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61047131
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine
CID 171226819
N-methyl-N-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 16786678
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine;hydrochloride
CID 171207247
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
(1S)-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226844
methyl 2-(propylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]acetate
CID 60796385
N-methyl-N-(2-methylbutyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 43295528

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine (CID 55030218) is N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine is CCNC(CN)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
The InChIKey is YVUCJDPPWRFCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-2-16-10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,16H,2,7,15H2,1H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine?
N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine has a molecular weight of 264.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 55030218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).