2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C18H16F3N3 — CID 110434800

IUPAC2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCC(C)c1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C18H16F3N3/c1-11(2)16-23-15-9-4-3-8-14(15)17(24-16)22-13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyGOZWHCQYLQVIFH-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.52
Rot. Bonds3

About 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 110434800) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID110434800
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCC(C)c1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C18H16F3N3/c1-11(2)16-23-15-9-4-3-8-14(15)17(24-16)22-13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyGOZWHCQYLQVIFH-UHFFFAOYSA-N
XLogP5.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
N-[3-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-amine
CID 155538501
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577
[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 106584377
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]anilino]quinazoline-2-carboxamide
CID 163183497
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
CID 110434808
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 110434800) is 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is CC(C)c1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is GOZWHCQYLQVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-11(2)16-23-15-9-4-3-8-14(15)17(24-16)22-13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 331.34 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 110434800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).