2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C19H20F6N2 — CID 157384589

IUPAC2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc2c(c1)CNCC2.NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N.C9H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-2,5,14H,3-4,6H2;1-4H,5-6,13H2
InChIKeyBLGXXUWRUSPQOA-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.56
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 157384589) has the molecular formula C19H20F6N2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID157384589
Molecular FormulaC19H20F6N2
Molecular Weight390.37 g/mol
Exact Mass390.15
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccc2c(c1)CNCC2.NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N.C9H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-2,5,14H,3-4,6H2;1-4H,5-6,13H2
InChIKeyBLGXXUWRUSPQOA-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]methanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 160949721
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine
CID 84724736
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68793479
2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 158815051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 157384589) is 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1ccc2c(c1)CNCC2.NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BLGXXUWRUSPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.C9H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-2,5,14H,3-4,6H2;1-4H,5-6,13H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 390.37 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethanamine;7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 157384589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).