3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine

C14H19F3N2 — CID 106902239

IUPAC3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
SMILESCN(CCC(F)(F)F)CC1CNc2ccccc2C1
InChIInChI=1S/C14H19F3N2/c1-19(7-6-14(15,16)17)10-11-8-12-4-2-3-5-13(12)18-9-11/h2-5,11,18H,6-10H2,1H3
InChIKeyGLUCDWKGPYXTPB-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.15
Rot. Bonds4

About 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine (PubChem CID 106902239) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
PubChem CID106902239
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
SMILESCN(CCC(F)(F)F)CC1CNc2ccccc2C1
InChIInChI=1S/C14H19F3N2/c1-19(7-6-14(15,16)17)10-11-8-12-4-2-3-5-13(12)18-9-11/h2-5,11,18H,6-10H2,1H3
InChIKeyGLUCDWKGPYXTPB-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine (CID 106902239) is 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine is CN(CCC(F)(F)F)CC1CNc2ccccc2C1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine?
The InChIKey is GLUCDWKGPYXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19(7-6-14(15,16)17)10-11-8-12-4-2-3-5-13(12)18-9-11/h2-5,11,18H,6-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106902239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).