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

C20H23N3 — CID 86178032

IUPACN-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)(C)c1ccc(CCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H23N3/c1-20(2,3)16-10-8-15(9-11-16)12-13-21-19-17-6-4-5-7-18(17)22-14-23-19/h4-11,14H,12-13H2,1-3H3,(H,21,22,23)
InChIKeyPVTSVHYWBOQWFG-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.58
Rot. Bonds4

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

N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine (PubChem CID 86178032) has the molecular formula C20H23N3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine
PubChem CID86178032
Molecular FormulaC20H23N3
Molecular Weight305.42 g/mol
Exact Mass305.19
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)(C)c1ccc(CCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H23N3/c1-20(2,3)16-10-8-15(9-11-16)12-13-21-19-17-6-4-5-7-18(17)22-14-23-19/h4-11,14H,12-13H2,1-3H3,(H,21,22,23)
InChIKeyPVTSVHYWBOQWFG-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine (CID 86178032) is N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine is CC(C)(C)c1ccc(CCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is PVTSVHYWBOQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-20(2,3)16-10-8-15(9-11-16)12-13-21-19-17-6-4-5-7-18(17)22-14-23-19/h4-11,14H,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine?
N-[2-(4-tert-butylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.58, 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]quinazolin-4-amine is sourced from PubChem (CID 86178032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).