4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

C14H17ClN4O — CID 62857400

IUPAC4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-4-19(11-8-6-7-10(3)9-11)13-16-12(15)17-14(18-13)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyBJLBULKCXXWWOP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 62857400) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID62857400
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-4-19(11-8-6-7-10(3)9-11)13-16-12(15)17-14(18-13)20-5-2/h6-9H,4-5H2,1-3H3
InChIKeyBJLBULKCXXWWOP-UHFFFAOYSA-N
XLogP3.39
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-ethyl-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858407
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 62983235
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 62857400) is 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(CC)c2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BJLBULKCXXWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-19(11-8-6-7-10(3)9-11)13-16-12(15)17-14(18-13)20-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).