N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine

C16H11F3N2 — CID 170512982

IUPACN-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
SMILESFC(F)(F)c1cccc(Nc2cccc3cnccc23)c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)12-4-2-5-13(9-12)21-15-6-1-3-11-10-20-8-7-14(11)15/h1-10,21H
InChIKeyZZQMGSYQAOKACK-UHFFFAOYSA-N
MW288.27 g/mol
LogP5.00
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine

N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine (PubChem CID 170512982) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
PubChem CID170512982
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC NameN-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
SMILESFC(F)(F)c1cccc(Nc2cccc3cnccc23)c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)12-4-2-5-13(9-12)21-15-6-1-3-11-10-20-8-7-14(11)15/h1-10,21H
InChIKeyZZQMGSYQAOKACK-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-5-yl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 11725098
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine
CID 11618845
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553
N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
CID 3043795
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine (CID 170512982) is N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine is FC(F)(F)c1cccc(Nc2cccc3cnccc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine?
The InChIKey is ZZQMGSYQAOKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)12-4-2-5-13(9-12)21-15-6-1-3-11-10-20-8-7-14(11)15/h1-10,21H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine?
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine has a molecular weight of 288.27 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine is sourced from PubChem (CID 170512982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).