N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C14H20F3N3 — CID 81424305

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CC(F)(F)F)nc(C)c2C1
InChIInChI=1S/C14H20F3N3/c1-3-18-8-10-4-5-12-11(6-10)9(2)19-13(20-12)7-14(15,16)17/h10,18H,3-8H2,1-2H3
InChIKeyBCDOFAKWJUDEFQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.60
Rot. Bonds4

About N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81424305) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81424305
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(CC(F)(F)F)nc(C)c2C1
InChIInChI=1S/C14H20F3N3/c1-3-18-8-10-4-5-12-11(6-10)9(2)19-13(20-12)7-14(15,16)17/h10,18H,3-8H2,1-2H3
InChIKeyBCDOFAKWJUDEFQ-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81424305) is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(CC(F)(F)F)nc(C)c2C1.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is BCDOFAKWJUDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-18-8-10-4-5-12-11(6-10)9(2)19-13(20-12)7-14(15,16)17/h10,18H,3-8H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81424305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).