[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H18FN3 — CID 81424855

IUPAC[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cccc(F)c2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H18FN3/c1-10-14-7-11(9-18)5-6-15(14)20-16(19-10)12-3-2-4-13(17)8-12/h2-4,8,11H,5-7,9,18H2,1H3
InChIKeyLNCCGFIENCRJKP-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.65
Rot. Bonds2

About [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81424855) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81424855
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cccc(F)c2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H18FN3/c1-10-14-7-11(9-18)5-6-15(14)20-16(19-10)12-3-2-4-13(17)8-12/h2-4,8,11H,5-7,9,18H2,1H3
InChIKeyLNCCGFIENCRJKP-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81424855) is [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(-c2cccc(F)c2)nc2c1CC(CN)CC2.
What is the InChIKey of [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is LNCCGFIENCRJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-10-14-7-11(9-18)5-6-15(14)20-16(19-10)12-3-2-4-13(17)8-12/h2-4,8,11H,5-7,9,18H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 271.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81424855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).