2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine

C15H14F3N3 — CID 62007715

IUPAC2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3ccccc3C(F)(F)F)ncc21
InChIInChI=1S/C15H14F3N3/c16-15(17,18)11-5-2-1-4-9(11)14-20-8-10-12(19)6-3-7-13(10)21-14/h1-2,4-5,8,12H,3,6-7,19H2
InChIKeyACQOZQYDMFEJJI-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.50
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine

2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62007715) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62007715
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3ccccc3C(F)(F)F)ncc21
InChIInChI=1S/C15H14F3N3/c16-15(17,18)11-5-2-1-4-9(11)14-20-8-10-12(19)6-3-7-13(10)21-14/h1-2,4-5,8,12H,3,6-7,19H2
InChIKeyACQOZQYDMFEJJI-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62007715) is 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(-c3ccccc3C(F)(F)F)ncc21.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is ACQOZQYDMFEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-15(17,18)11-5-2-1-4-9(11)14-20-8-10-12(19)6-3-7-13(10)21-14/h1-2,4-5,8,12H,3,6-7,19H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 293.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62007715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).