3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine

C13H17F3N2 — CID 63403968

IUPAC3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
SMILESCC1Cc2ccccc2N(C(CN)C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2/c1-9-6-10-4-2-3-5-11(10)18(8-9)12(7-17)13(14,15)16/h2-5,9,12H,6-8,17H2,1H3
InChIKeyNCZQADHDKJTLTH-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.57
Rot. Bonds2

About 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine

3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine (PubChem CID 63403968) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
PubChem CID63403968
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
SMILESCC1Cc2ccccc2N(C(CN)C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2/c1-9-6-10-4-2-3-5-11(10)18(8-9)12(7-17)13(14,15)16/h2-5,9,12H,6-8,17H2,1H3
InChIKeyNCZQADHDKJTLTH-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine (CID 63403968) is 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine is CC1Cc2ccccc2N(C(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine?
The InChIKey is NCZQADHDKJTLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-6-10-4-2-3-5-11(10)18(8-9)12(7-17)13(14,15)16/h2-5,9,12H,6-8,17H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine?
3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine has a molecular weight of 258.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine is sourced from PubChem (CID 63403968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).