2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine

C22H27N3 — CID 69232334

IUPAC2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
SMILESCC(C)(C)c1nc(NCCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H27N3/c1-22(2,3)21-24-19-15-8-7-14-18(19)20(25-21)23-16-10-9-13-17-11-5-4-6-12-17/h4-8,11-12,14-15H,9-10,13,16H2,1-3H3,(H,23,24,25)
InChIKeyUUIARFNHYCQRRP-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.36
Rot. Bonds6

About 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine

2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine (PubChem CID 69232334) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
PubChem CID69232334
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
SMILESCC(C)(C)c1nc(NCCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H27N3/c1-22(2,3)21-24-19-15-8-7-14-18(19)20(25-21)23-16-10-9-13-17-11-5-4-6-12-17/h4-8,11-12,14-15H,9-10,13,16H2,1-3H3,(H,23,24,25)
InChIKeyUUIARFNHYCQRRP-UHFFFAOYSA-N
XLogP5.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
N-[3-(2-methylpropoxy)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 154835565
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430884
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431954
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine?
The IUPAC name of 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine (CID 69232334) is 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine is CC(C)(C)c1nc(NCCCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine?
The InChIKey is UUIARFNHYCQRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-22(2,3)21-24-19-15-8-7-14-18(19)20(25-21)23-16-10-9-13-17-11-5-4-6-12-17/h4-8,11-12,14-15H,9-10,13,16H2,1-3H3,(H,23,24,25).
What are the key properties of 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine?
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine is sourced from PubChem (CID 69232334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).