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

C15H14F3N3 — CID 80548068

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cccc3c2CCNC3)nc1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)11-4-5-14(20-9-11)21-13-3-1-2-10-8-19-7-6-12(10)13/h1-5,9,19H,6-8H2,(H,20,21)
InChIKeyKVXZKZJBSIZPEG-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.49
Rot. Bonds2

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

N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80548068) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80548068
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cccc3c2CCNC3)nc1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)11-4-5-14(20-9-11)21-13-3-1-2-10-8-19-7-6-12(10)13/h1-5,9,19H,6-8H2,(H,20,21)
InChIKeyKVXZKZJBSIZPEG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548233
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
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 114401771
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63765889
3-nitro-6-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-2,6-diamine
CID 80548078
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
CID 80548139
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 80554704
5-[4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 169116305
5-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 66218077
N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548130

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80548068) is N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine is FC(F)(F)c1ccc(Nc2cccc3c2CCNC3)nc1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is KVXZKZJBSIZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-15(17,18)11-4-5-14(20-9-11)21-13-3-1-2-10-8-19-7-6-12(10)13/h1-5,9,19H,6-8H2,(H,20,21).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80548068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).