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

C14H17ClN4O2 — CID 62868653

IUPAC4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1
InChIInChI=1S/C14H17ClN4O2/c1-4-20-11-7-5-10(6-8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyWPMJPWZJTVRYEE-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.45
Rot. Bonds6

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

4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62868653) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62868653
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1
InChIInChI=1S/C14H17ClN4O2/c1-4-20-11-7-5-10(6-8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyWPMJPWZJTVRYEE-UHFFFAOYSA-N
XLogP3.45
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
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-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
3-N-(4-ethoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62868653) is 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is WPMJPWZJTVRYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-20-11-7-5-10(6-8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.45, 6 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-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).