2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine

C17H15F2N3 — CID 56553646

IUPAC2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccc(CNc2nc(C(F)F)nc3ccccc23)cc1
InChIInChI=1S/C17H15F2N3/c1-11-6-8-12(9-7-11)10-20-16-13-4-2-3-5-14(13)21-17(22-16)15(18)19/h2-9,15H,10H2,1H3,(H,20,21,22)
InChIKeyCPIJPSUCQMZIJH-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.49
Rot. Bonds4

About 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine

2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 56553646) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
PubChem CID56553646
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccc(CNc2nc(C(F)F)nc3ccccc23)cc1
InChIInChI=1S/C17H15F2N3/c1-11-6-8-12(9-7-11)10-20-16-13-4-2-3-5-14(13)21-17(22-16)15(18)19/h2-9,15H,10H2,1H3,(H,20,21,22)
InChIKeyCPIJPSUCQMZIJH-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495767
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
1-[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]phenyl]piperidin-2-one
CID 56573974
2-(difluoromethyl)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]quinazolin-4-amine
CID 56574277
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
CID 133367596
2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
CID 133399873
4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-4-methylpentanoic acid
CID 122059166
[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
CID 133398979
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine (CID 56553646) is 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine is Cc1ccc(CNc2nc(C(F)F)nc3ccccc23)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is CPIJPSUCQMZIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-11-6-8-12(9-7-11)10-20-16-13-4-2-3-5-14(13)21-17(22-16)15(18)19/h2-9,15H,10H2,1H3,(H,20,21,22).
What are the key properties of 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 299.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 56553646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).