1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C15H23F2N3O — CID 103150838

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(CCOCC(F)F)nc(C)c2C1
InChIInChI=1S/C15H23F2N3O/c1-10-12-7-11(8-18-2)3-4-13(12)20-15(19-10)5-6-21-9-14(16)17/h11,14,18H,3-9H2,1-2H3
InChIKeyUCBLYGMMEALKGH-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.93
Rot. Bonds7

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 103150838) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID103150838
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(CCOCC(F)F)nc(C)c2C1
InChIInChI=1S/C15H23F2N3O/c1-10-12-7-11(8-18-2)3-4-13(12)20-15(19-10)5-6-21-9-14(16)17/h11,14,18H,3-9H2,1-2H3
InChIKeyUCBLYGMMEALKGH-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-{[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]amino}ethanol
CID 2941817
2-[6-Propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]guanidine
CID 11208834
2-(2-Methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969701
2-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethan-1-amine
CID 71778219
N-(2-(4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl)acetamide
CID 71797100
6-Methyl-5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 122624372
2-tert-butyl-8,8-difluoro-4-propan-2-yl-6,7-dihydro-5H-quinazoline
CID 170939547
N4-[3-(3-aminopropoxy)propyl]-5-hexyl-6-methyl-N2-octyl-pyrimidine-2,4-diamine
CID 5276807
2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
CID 7106517
2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
CID 7106518
2-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine
CID 57365084
2-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57374629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 103150838) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CNCC1CCc2nc(CCOCC(F)F)nc(C)c2C1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is UCBLYGMMEALKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-10-12-7-11(8-18-2)3-4-13(12)20-15(19-10)5-6-21-9-14(16)17/h11,14,18H,3-9H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 299.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 103150838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).