N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C17H20FN3 — CID 81425515

IUPACN-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3cccc(F)c3)ncc2C1
InChIInChI=1S/C17H20FN3/c1-2-19-10-12-6-7-16-14(8-12)11-20-17(21-16)13-4-3-5-15(18)9-13/h3-5,9,11-12,19H,2,6-8,10H2,1H3
InChIKeyQNAWMKYJZUZOGG-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.00
Rot. Bonds4

About N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425515) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425515
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(-c3cccc(F)c3)ncc2C1
InChIInChI=1S/C17H20FN3/c1-2-19-10-12-6-7-16-14(8-12)11-20-17(21-16)13-4-3-5-15(18)9-13/h3-5,9,11-12,19H,2,6-8,10H2,1H3
InChIKeyQNAWMKYJZUZOGG-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425515) is N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(-c3cccc(F)c3)ncc2C1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is QNAWMKYJZUZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-2-19-10-12-6-7-16-14(8-12)11-20-17(21-16)13-4-3-5-15(18)9-13/h3-5,9,11-12,19H,2,6-8,10H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).