[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine

C17H17F3N2 — CID 172563716

IUPAC[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2cnc3c(c2)CCC(C(F)(F)F)C3)cc1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)15-6-5-13-7-14(10-22-16(13)8-15)12-3-1-11(9-21)2-4-12/h1-4,7,10,15H,5-6,8-9,21H2
InChIKeyLSEAPTYSWPAHFM-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.87
Rot. Bonds2

About [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine

[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine (PubChem CID 172563716) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine
PubChem CID172563716
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2cnc3c(c2)CCC(C(F)(F)F)C3)cc1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)15-6-5-13-7-14(10-22-16(13)8-15)12-3-1-11(9-21)2-4-12/h1-4,7,10,15H,5-6,8-9,21H2
InChIKeyLSEAPTYSWPAHFM-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine?
The IUPAC name of [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine (CID 172563716) is [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine is NCc1ccc(-c2cnc3c(c2)CCC(C(F)(F)F)C3)cc1.
What is the InChIKey of [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine?
The InChIKey is LSEAPTYSWPAHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c18-17(19,20)15-6-5-13-7-14(10-22-16(13)8-15)12-3-1-11(9-21)2-4-12/h1-4,7,10,15H,5-6,8-9,21H2.
What are the key properties of [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine?
[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]methanamine is sourced from PubChem (CID 172563716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).