4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine

C14H17ClN4O2 — CID 62868487

IUPAC4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C14H17ClN4O2/c1-3-9-21-14-18-12(15)17-13(19-14)16-10-5-7-11(8-6-10)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyMMHWPRCNZQQMPO-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.46
Rot. Bonds7

About 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62868487) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62868487
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C14H17ClN4O2/c1-3-9-21-14-18-12(15)17-13(19-14)16-10-5-7-11(8-6-10)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyMMHWPRCNZQQMPO-UHFFFAOYSA-N
XLogP3.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544
4,6-dichloro-N-[4-[(E)-2-[4-(4-ethoxy-N-(4-ethoxyphenyl)anilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-amine
CID 102288247
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62868487) is 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is MMHWPRCNZQQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-9-21-14-18-12(15)17-13(19-14)16-10-5-7-11(8-6-10)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).