2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C19H20F3N — CID 68793479

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-9-7-14(8-10-17)18(12-23)16-6-5-13-3-1-2-4-15(13)11-16/h5-11,18H,1-4,12,23H2
InChIKeyMSWBRLCXBLAWRP-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.67
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 68793479) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID68793479
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-9-7-14(8-10-17)18(12-23)16-6-5-13-3-1-2-4-15(13)11-16/h5-11,18H,1-4,12,23H2
InChIKeyMSWBRLCXBLAWRP-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68775083
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxyethanamine
CID 82111881
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207092
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
CID 83931757
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 59553811
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
N-methyl-2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116824902

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 68793479) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MSWBRLCXBLAWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c20-19(21,22)17-9-7-14(8-10-17)18(12-23)16-6-5-13-3-1-2-4-15(13)11-16/h5-11,18H,1-4,12,23H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 319.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 68793479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).