4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C13H15ClN4O2 — CID 80876394

IUPAC4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(15-2)17-13(18-12)20-8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyXINHVJVNONSNIC-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.54
Rot. Bonds6

About 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80876394) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80876394
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(15-2)17-13(18-12)20-8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18)
InChIKeyXINHVJVNONSNIC-UHFFFAOYSA-N
XLogP2.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871605
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 114879260
4-[(3-chlorophenyl)methoxy]-5-fluoro-N-methylpyrimidin-2-amine
CID 80876322
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80850454
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 80876394) is 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is XINHVJVNONSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-19-12-16-11(15-2)17-13(18-12)20-8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).