4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

C15H19ClN4O — CID 62868348

IUPAC4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-9-21-15-18-13(16)17-14(19-15)20(3)10-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyLZIMUBVYOXCNCX-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62868348) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62868348
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-9-21-15-18-13(16)17-14(19-15)20(3)10-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyLZIMUBVYOXCNCX-UHFFFAOYSA-N
XLogP3.26
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 63838044
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863481
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 62868348) is 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(C)Cc2ccc(C)cc2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LZIMUBVYOXCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-9-21-15-18-13(16)17-14(19-15)20(3)10-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).