N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine

C20H22FN3 — CID 19939137

IUPACN-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine
SMILESCC(C)(C)c1ccc(CCNc2ncnc3c(F)cccc23)cc1
InChIInChI=1S/C20H22FN3/c1-20(2,3)15-9-7-14(8-10-15)11-12-22-19-16-5-4-6-17(21)18(16)23-13-24-19/h4-10,13H,11-12H2,1-3H3,(H,22,23,24)
InChIKeyWXAOWKWFAYUXEZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.72
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine

N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine (PubChem CID 19939137) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine
PubChem CID19939137
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine
SMILESCC(C)(C)c1ccc(CCNc2ncnc3c(F)cccc23)cc1
InChIInChI=1S/C20H22FN3/c1-20(2,3)15-9-7-14(8-10-15)11-12-22-19-16-5-4-6-17(21)18(16)23-13-24-19/h4-10,13H,11-12H2,1-3H3,(H,22,23,24)
InChIKeyWXAOWKWFAYUXEZ-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 51037431
CID 51037431
CID 11247522
CID 11247522
CID 780643
CID 780643
CID 676352
CID 676352
CID 5496989
CID 5496989
CID 616573
CID 616573
CID 667555
CID 667555
CID 2949965
CID 2949965
CID 56927063
CID 56927063
CID 10248318
CID 10248318
CID 198909
CID 198909
CID 324081
CID 324081

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine (CID 19939137) is N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine is CC(C)(C)c1ccc(CCNc2ncnc3c(F)cccc23)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine?
The InChIKey is WXAOWKWFAYUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-20(2,3)15-9-7-14(8-10-15)11-12-22-19-16-5-4-6-17(21)18(16)23-13-24-19/h4-10,13H,11-12H2,1-3H3,(H,22,23,24).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine?
N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine has a molecular weight of 323.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-8-fluoroquinazolin-4-amine is sourced from PubChem (CID 19939137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).