2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C17H20FN3 — CID 62389100

IUPAC2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1ccc(F)cc1-c1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C17H20FN3/c1-10-4-5-11(18)6-12(10)16-20-9-13-14(19)7-17(2,3)8-15(13)21-16/h4-6,9,14H,7-8,19H2,1-3H3
InChIKeyZMZSRJDHOFWTEZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.56
Rot. Bonds1

About 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62389100) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62389100
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCc1ccc(F)cc1-c1ncc2c(n1)CC(C)(C)CC2N
InChIInChI=1S/C17H20FN3/c1-10-4-5-11(18)6-12(10)16-20-9-13-14(19)7-17(2,3)8-15(13)21-16/h4-6,9,14H,7-8,19H2,1-3H3
InChIKeyZMZSRJDHOFWTEZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 62389100) is 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is Cc1ccc(F)cc1-c1ncc2c(n1)CC(C)(C)CC2N.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is ZMZSRJDHOFWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-10-4-5-11(18)6-12(10)16-20-9-13-14(19)7-17(2,3)8-15(13)21-16/h4-6,9,14H,7-8,19H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 285.37 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62389100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).