2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C17H20FN3 — CID 64767789

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(C)(c1ccc(F)cc1)c1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C17H20FN3/c1-17(2,11-7-9-12(18)10-8-11)16-20-14-6-4-3-5-13(14)15(19)21-16/h7-10H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyPLDMSYKOURMOHO-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.40
Rot. Bonds2

About 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 64767789) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID64767789
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(C)(c1ccc(F)cc1)c1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C17H20FN3/c1-17(2,11-7-9-12(18)10-8-11)16-20-14-6-4-3-5-13(14)15(19)21-16/h7-10H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyPLDMSYKOURMOHO-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 64767789) is 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is CC(C)(c1ccc(F)cc1)c1nc(N)c2c(n1)CCCC2.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PLDMSYKOURMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-17(2,11-7-9-12(18)10-8-11)16-20-14-6-4-3-5-13(14)15(19)21-16/h7-10H,3-6H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 64767789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).