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

C14H17ClN4O2 — CID 80878774

IUPAC4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-7-20-13-17-12(16-3)18-14(19-13)21-11-6-5-9(2)8-10(11)15/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19)
InChIKeyHUJFEROZSADKPN-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.46
Rot. Bonds6

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

4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80878774) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80878774
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-7-20-13-17-12(16-3)18-14(19-13)21-11-6-5-9(2)8-10(11)15/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19)
InChIKeyHUJFEROZSADKPN-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878620
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
N,5-dimethyl-2-propoxyaniline
CID 82263415

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80878774) is 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HUJFEROZSADKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-7-20-13-17-12(16-3)18-14(19-13)21-11-6-5-9(2)8-10(11)15/h5-6,8H,4,7H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).