N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine

C18H19N3O — CID 12797563

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
SMILESCc1ccccc1OCCN(C)c1ncnc2ccccc12
InChIInChI=1S/C18H19N3O/c1-14-7-3-6-10-17(14)22-12-11-21(2)18-15-8-4-5-9-16(15)19-13-20-18/h3-10,13H,11-12H2,1-2H3
InChIKeyUQZBJEARLAESPM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine

N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine (PubChem CID 12797563) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
PubChem CID12797563
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
SMILESCc1ccccc1OCCN(C)c1ncnc2ccccc12
InChIInChI=1S/C18H19N3O/c1-14-7-3-6-10-17(14)22-12-11-21(2)18-15-8-4-5-9-16(15)19-13-20-18/h3-10,13H,11-12H2,1-2H3
InChIKeyUQZBJEARLAESPM-UHFFFAOYSA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine (CID 12797563) is N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine is Cc1ccccc1OCCN(C)c1ncnc2ccccc12.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine?
The InChIKey is UQZBJEARLAESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-7-3-6-10-17(14)22-12-11-21(2)18-15-8-4-5-9-16(15)19-13-20-18/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine?
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 12797563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).