(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine

C18H19N3 — CID 68514561

IUPAC(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine
SMILESCCc1ccc(C(N)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-3-13-8-10-14(11-9-13)17(19)18-15-6-4-5-7-16(15)20-12(2)21-18/h4-11,17H,3,19H2,1-2H3
InChIKeyCMMJNPYAXGQDJT-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.55
Rot. Bonds3

About (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine

(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine (PubChem CID 68514561) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine
PubChem CID68514561
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine
SMILESCCc1ccc(C(N)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-3-13-8-10-14(11-9-13)17(19)18-15-6-4-5-7-16(15)20-12(2)21-18/h4-11,17H,3,19H2,1-2H3
InChIKeyCMMJNPYAXGQDJT-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine (CID 68514561) is (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine is CCc1ccc(C(N)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine?
The InChIKey is CMMJNPYAXGQDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-13-8-10-14(11-9-13)17(19)18-15-6-4-5-7-16(15)20-12(2)21-18/h4-11,17H,3,19H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine?
(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine is sourced from PubChem (CID 68514561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).