2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C14H18F3N — CID 116914316

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCN(C)C(c1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-18(2)13(14(15,16)17)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6H2,1-2H3
InChIKeyGTAGDCNSYONHMV-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.73
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 116914316) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID116914316
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCN(C)C(c1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-18(2)13(14(15,16)17)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6H2,1-2H3
InChIKeyGTAGDCNSYONHMV-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene
CID 103310628
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914319
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 116841362
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68793479

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 116914316) is 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CN(C)C(c1ccc2c(c1)CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is GTAGDCNSYONHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18(2)13(14(15,16)17)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 257.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 116914316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).