4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

C17H24N4O — CID 18684657

IUPAC4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCC(COc1ccccc1)Nc1nc(C)nc(C(C)C)n1
InChIInChI=1S/C17H24N4O/c1-5-14(11-22-15-9-7-6-8-10-15)20-17-19-13(4)18-16(21-17)12(2)3/h6-10,12,14H,5,11H2,1-4H3,(H,18,19,20,21)
InChIKeyZIJXIHULURPIIS-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.57
Rot. Bonds7

About 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 18684657) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID18684657
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCC(COc1ccccc1)Nc1nc(C)nc(C(C)C)n1
InChIInChI=1S/C17H24N4O/c1-5-14(11-22-15-9-7-6-8-10-15)20-17-19-13(4)18-16(21-17)12(2)3/h6-10,12,14H,5,11H2,1-4H3,(H,18,19,20,21)
InChIKeyZIJXIHULURPIIS-UHFFFAOYSA-N
XLogP3.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-methyl-N-[1-(3-methylphenoxy)butan-2-yl]-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879773
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
CID 64779800
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 10708431
(2R)-2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 129363218
methyl 2-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate
CID 21349336
(3-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105213082
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
(4-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105212878

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 18684657) is 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is CCC(COc1ccccc1)Nc1nc(C)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ZIJXIHULURPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-14(11-22-15-9-7-6-8-10-15)20-17-19-13(4)18-16(21-17)12(2)3/h6-10,12,14H,5,11H2,1-4H3,(H,18,19,20,21).
What are the key properties of 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18684657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).