[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine

C19H21N3 — CID 71657296

IUPAC[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncnc3c(CN)cccc23)cc1
InChIInChI=1S/C19H21N3/c1-19(2,3)15-9-7-13(8-10-15)17-16-6-4-5-14(11-20)18(16)22-12-21-17/h4-10,12H,11,20H2,1-3H3
InChIKeyYAATXUMIRPMHET-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.05
Rot. Bonds2

About [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine

[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine (PubChem CID 71657296) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine
PubChem CID71657296
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncnc3c(CN)cccc23)cc1
InChIInChI=1S/C19H21N3/c1-19(2,3)15-9-7-13(8-10-15)17-16-6-4-5-14(11-20)18(16)22-12-21-17/h4-10,12H,11,20H2,1-3H3
InChIKeyYAATXUMIRPMHET-UHFFFAOYSA-N
XLogP4.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine?
The IUPAC name of [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine (CID 71657296) is [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine.
What is the SMILES notation for [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine?
The canonical SMILES for [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine is CC(C)(C)c1ccc(-c2ncnc3c(CN)cccc23)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine?
The InChIKey is YAATXUMIRPMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-19(2,3)15-9-7-13(8-10-15)17-16-6-4-5-14(11-20)18(16)22-12-21-17/h4-10,12H,11,20H2,1-3H3.
What are the key properties of [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine?
[4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)quinazolin-8-yl]methanamine is sourced from PubChem (CID 71657296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).