1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine

C14H19F3N2O — CID 61491630

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2CCCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-9-3-8-19-7-2-4-11-12(18)5-1-6-13(11)19/h1,5-6H,2-4,7-10,18H2
InChIKeyBAICNVLOHLCNBU-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.99
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine

1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 61491630) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID61491630
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2CCCOCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-9-3-8-19-7-2-4-11-12(18)5-1-6-13(11)19/h1,5-6H,2-4,7-10,18H2
InChIKeyBAICNVLOHLCNBU-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
1-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205691
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264145
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336995
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-ol
CID 65212762

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine (CID 61491630) is 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2CCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is BAICNVLOHLCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)10-20-9-3-8-19-7-2-4-11-12(18)5-1-6-13(11)19/h1,5-6H,2-4,7-10,18H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 288.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 61491630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).