6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine

C13H11BrF3NS — CID 116615684

IUPAC6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
SMILESFC(F)(F)SCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H11BrF3NS/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-5-6-19-13(15,16)17/h1-4,7-8,18H,5-6H2
InChIKeyCRHNMPKNEAVTFX-UHFFFAOYSA-N
MW350.20 g/mol
LogP5.27
Rot. Bonds4

About 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine

6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine (PubChem CID 116615684) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
PubChem CID116615684
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
SMILESFC(F)(F)SCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H11BrF3NS/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-5-6-19-13(15,16)17/h1-4,7-8,18H,5-6H2
InChIKeyCRHNMPKNEAVTFX-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 107620057
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-benzothiazol-2-amine
CID 114188125
5-bromo-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 116615477
3-bromo-5-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 116615714
2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 106426395
6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
CID 114472442
1-[2-amino-5-[2-(trifluoromethylsulfanyl)ethylamino]phenyl]ethanone
CID 114187363
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
CID 103512470
4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106433901

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine (CID 116615684) is 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine is FC(F)(F)SCCNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine?
The InChIKey is CRHNMPKNEAVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-5-6-19-13(15,16)17/h1-4,7-8,18H,5-6H2.
What are the key properties of 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine?
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine has a molecular weight of 350.20 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 116615684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).