6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine

C17H13F3N2 — CID 141366646

IUPAC6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
SMILESCc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1
InChIInChI=1S/C17H13F3N2/c1-11-5-6-15-12(9-11)7-8-21-16(15)22-14-4-2-3-13(10-14)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyLMFIGFSCMDPNJY-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.31
Rot. Bonds2

About 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine

6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine (PubChem CID 141366646) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
PubChem CID141366646
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
SMILESCc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1
InChIInChI=1S/C17H13F3N2/c1-11-5-6-15-12(9-11)7-8-21-16(15)22-14-4-2-3-13(10-14)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyLMFIGFSCMDPNJY-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-methyl-5-nitro-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 67339476
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine
CID 170435794
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
1-isoquinolin-1-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 56696689
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine (CID 141366646) is 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The canonical SMILES for 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine is Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1.
What is the InChIKey of 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine?
The InChIKey is LMFIGFSCMDPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-11-5-6-15-12(9-11)7-8-21-16(15)22-14-4-2-3-13(10-14)17(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine?
6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine has a molecular weight of 302.30 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine is sourced from PubChem (CID 141366646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).