N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine

C16H15F3N2 — CID 63404593

IUPACN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine
SMILESFC(F)(F)c1ccccc1Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-6-15(13)21-12-7-8-14-11(10-12)4-3-9-20-14/h1-2,5-8,10,20-21H,3-4,9H2
InChIKeyCZVFHATXIJHERW-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.81
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine

N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 63404593) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID63404593
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine
SMILESFC(F)(F)c1ccccc1Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-6-15(13)21-12-7-8-14-11(10-12)4-3-9-20-14/h1-2,5-8,10,20-21H,3-4,9H2
InChIKeyCZVFHATXIJHERW-UHFFFAOYSA-N
XLogP4.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-6-amine
CID 79678505
N-(4-methyl-3-nitrophenyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 63283095
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 61150769
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine
CID 55173236
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
CID 19021339
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 63500586
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
6-ethynyl-1,2,3,4-tetrahydroquinoline
CID 19702071
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine (CID 63404593) is N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine is FC(F)(F)c1ccccc1Nc1ccc2c(c1)CCCN2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is CZVFHATXIJHERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-6-15(13)21-12-7-8-14-11(10-12)4-3-9-20-14/h1-2,5-8,10,20-21H,3-4,9H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine?
N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 292.30 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 63404593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).