1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C17H20BrN3 — CID 107915653

IUPAC1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(-c3ccc(C)cc3Br)ncc2C1
InChIInChI=1S/C17H20BrN3/c1-11-3-5-14(15(18)7-11)17-20-10-13-8-12(9-19-2)4-6-16(13)21-17/h3,5,7,10,12,19H,4,6,8-9H2,1-2H3
InChIKeyAYEAIHKIDOOXEA-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.54
Rot. Bonds3

About 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 107915653) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID107915653
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(-c3ccc(C)cc3Br)ncc2C1
InChIInChI=1S/C17H20BrN3/c1-11-3-5-14(15(18)7-11)17-20-10-13-8-12(9-19-2)4-6-16(13)21-17/h3,5,7,10,12,19H,4,6,8-9H2,1-2H3
InChIKeyAYEAIHKIDOOXEA-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[2-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81425046
N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425043
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424942
N-methyl-1-[2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 106849856
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81424269
N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425868
1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731934
N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
CID 81425625
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 107915653) is 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CNCC1CCc2nc(-c3ccc(C)cc3Br)ncc2C1.
What is the InChIKey of 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is AYEAIHKIDOOXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-11-3-5-14(15(18)7-11)17-20-10-13-8-12(9-19-2)4-6-16(13)21-17/h3,5,7,10,12,19H,4,6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 346.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 107915653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).