N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

C16H12F3N3 — CID 70704050

IUPACN-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H12F3N3/c1-10-6-2-4-8-12(10)20-14-11-7-3-5-9-13(11)21-15(22-14)16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyGBUAWPFGYLKKFK-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.70
Rot. Bonds2

About N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 70704050) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID70704050
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H12F3N3/c1-10-6-2-4-8-12(10)20-14-11-7-3-5-9-13(11)21-15(22-14)16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyGBUAWPFGYLKKFK-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid
CID 735192
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 17451276
2-N-methyl-4-N-(2-methylphenyl)-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67925962
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
CID 154835239
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 70704050) is N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is Cc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is GBUAWPFGYLKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-10-6-2-4-8-12(10)20-14-11-7-3-5-9-13(11)21-15(22-14)16(17,18)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 303.29 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 70704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).