8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

C17H13F4N3 — CID 67600804

IUPAC8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
SMILESFc1cccc2c(NCCc3ccccc3C(F)(F)F)ncnc12
InChIInChI=1S/C17H13F4N3/c18-14-7-3-5-12-15(14)23-10-24-16(12)22-9-8-11-4-1-2-6-13(11)17(19,20)21/h1-7,10H,8-9H2,(H,22,23,24)
InChIKeyJFDOISLXWAGVQS-UHFFFAOYSA-N
MW335.30 g/mol
LogP4.44
Rot. Bonds4

About 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67600804) has the molecular formula C17H13F4N3 and a molecular weight of 335.30 g/mol. Its IUPAC name is 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67600804
Molecular FormulaC17H13F4N3
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC Name8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
SMILESFc1cccc2c(NCCc3ccccc3C(F)(F)F)ncnc12
InChIInChI=1S/C17H13F4N3/c18-14-7-3-5-12-15(14)23-10-24-16(12)22-9-8-11-4-1-2-6-13(11)17(19,20)21/h1-7,10H,8-9H2,(H,22,23,24)
InChIKeyJFDOISLXWAGVQS-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 89487428
4-[(8-fluoroquinazolin-4-yl)amino]butanoic acid
CID 122058507
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 72896596
N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
CID 70114178
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 167746923
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
CID 106537294
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine (CID 67600804) is 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine is Fc1cccc2c(NCCc3ccccc3C(F)(F)F)ncnc12.
What is the InChIKey of 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is JFDOISLXWAGVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3/c18-14-7-3-5-12-15(14)23-10-24-16(12)22-9-8-11-4-1-2-6-13(11)17(19,20)21/h1-7,10H,8-9H2,(H,22,23,24).
What are the key properties of 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 335.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67600804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).