[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H19N3 — CID 81424046

IUPAC[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1
InChIInChI=1S/C16H19N3/c1-11-2-5-13(6-3-11)16-18-10-14-8-12(9-17)4-7-15(14)19-16/h2-3,5-6,10,12H,4,7-9,17H2,1H3
InChIKeyOPJHJFYJVHBWTF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.52
Rot. Bonds2

About [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81424046) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81424046
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1
InChIInChI=1S/C16H19N3/c1-11-2-5-13(6-3-11)16-18-10-14-8-12(9-17)4-7-15(14)19-16/h2-3,5-6,10,12H,4,7-9,17H2,1H3
InChIKeyOPJHJFYJVHBWTF-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81424046) is [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1.
What is the InChIKey of [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is OPJHJFYJVHBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-2-5-13(6-3-11)16-18-10-14-8-12(9-17)4-7-15(14)19-16/h2-3,5-6,10,12H,4,7-9,17H2,1H3.
What are the key properties of [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81424046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).