N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine

C15H14F3N3 — CID 80548233

IUPACN-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESFC(F)(F)c1cccnc1Nc1cccc2c1CCNC2
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-4-2-7-20-14(12)21-13-5-1-3-10-9-19-8-6-11(10)13/h1-5,7,19H,6,8-9H2,(H,20,21)
InChIKeyFHBFBVRWNYZVTI-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.49
Rot. Bonds2

About N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine

N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80548233) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80548233
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC NameN-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESFC(F)(F)c1cccnc1Nc1cccc2c1CCNC2
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-4-2-7-20-14(12)21-13-5-1-3-10-9-19-8-6-11(10)13/h1-5,7,19H,6,8-9H2,(H,20,21)
InChIKeyFHBFBVRWNYZVTI-UHFFFAOYSA-N
XLogP3.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 80554704
N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548068
N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 106876196
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 114401771
tert-butyl N-methyl-N-[2-[[2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)acetyl]-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]ethyl]carbamate
CID 121283266
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
CID 80548139
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554705
N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554683
5-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)-1H-pyrimidin-6-one
CID 136978814
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 80548012
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
CID 80554473
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 67486328

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80548233) is N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine is FC(F)(F)c1cccnc1Nc1cccc2c1CCNC2.
What is the InChIKey of N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is FHBFBVRWNYZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-15(17,18)12-4-2-7-20-14(12)21-13-5-1-3-10-9-19-8-6-11(10)13/h1-5,7,19H,6,8-9H2,(H,20,21).
What are the key properties of N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 293.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80548233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).