N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine

C14H19F3N2 — CID 22735274

IUPACN-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C14H19F3N2/c1-2-7-18-9-12-5-3-10-8-11(14(15,16)17)4-6-13(10)19-12/h4,6,8,12,18-19H,2-3,5,7,9H2,1H3
InChIKeyNUJPCJINNXEPPJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.43
Rot. Bonds4

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

N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine (PubChem CID 22735274) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
PubChem CID22735274
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C14H19F3N2/c1-2-7-18-9-12-5-3-10-8-11(14(15,16)17)4-6-13(10)19-12/h4,6,8,12,18-19H,2-3,5,7,9H2,1H3
InChIKeyNUJPCJINNXEPPJ-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine (CID 22735274) is N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine is CCCNCC1CCc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The InChIKey is NUJPCJINNXEPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-7-18-9-12-5-3-10-8-11(14(15,16)17)4-6-13(10)19-12/h4,6,8,12,18-19H,2-3,5,7,9H2,1H3.
What are the key properties of N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 22735274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).