1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine

C13H17F3N2 — CID 113326478

IUPAC1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2CCCC(F)(F)F
InChIInChI=1S/C13H17F3N2/c14-13(15,16)6-2-8-18-7-1-3-10-9-11(17)4-5-12(10)18/h4-5,9H,1-3,6-8,17H2
InChIKeyCNWUAPPNPDVHBZ-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.36
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine

1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 113326478) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID113326478
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2CCCC(F)(F)F
InChIInChI=1S/C13H17F3N2/c14-13(15,16)6-2-8-18-7-1-3-10-9-11(17)4-5-12(10)18/h4-5,9H,1-3,6-8,17H2
InChIKeyCNWUAPPNPDVHBZ-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-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

6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
CID 61493158
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine (CID 113326478) is 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is CNWUAPPNPDVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)6-2-8-18-7-1-3-10-9-11(17)4-5-12(10)18/h4-5,9H,1-3,6-8,17H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 258.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 113326478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).