N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C17H20BrN3 — CID 81424942

IUPACN-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3ccccc3Br)ncc2C1
InChIInChI=1S/C17H20BrN3/c1-2-19-10-12-7-8-16-13(9-12)11-20-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyYFNHPPBIHHNJGM-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.62
Rot. Bonds4

About N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81424942) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81424942
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3ccccc3Br)ncc2C1
InChIInChI=1S/C17H20BrN3/c1-2-19-10-12-7-8-16-13(9-12)11-20-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyYFNHPPBIHHNJGM-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine 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 N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81424942) is N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(-c3ccccc3Br)ncc2C1.
What is the InChIKey of N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is YFNHPPBIHHNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-2-19-10-12-7-8-16-13(9-12)11-20-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-12,19H,2,7-10H2,1H3.
What are the key properties of N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 346.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81424942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).