2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine

C11H14F3N3 — CID 71778219

IUPAC2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine
SMILESNCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-7-3-1-2-4-8(7)16-9(17-10)5-6-15/h1-6,15H2
InChIKeyNXPBYKOZDURIJC-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.88
Rot. Bonds2

About 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine

2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine (PubChem CID 71778219) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine
PubChem CID71778219
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine
SMILESNCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-7-3-1-2-4-8(7)16-9(17-10)5-6-15/h1-6,15H2
InChIKeyNXPBYKOZDURIJC-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine (CID 71778219) is 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine is NCCc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine?
The InChIKey is NXPBYKOZDURIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)10-7-3-1-2-4-8(7)16-9(17-10)5-6-15/h1-6,15H2.
What are the key properties of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine?
2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine has a molecular weight of 245.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethanamine is sourced from PubChem (CID 71778219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).