1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C17H26ClN5O2 — CID 54166549

IUPAC1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1cc(Cl)ccc1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C17H26ClN5O2/c1-4-6-12-11-13(18)7-8-14(12)24-9-5-10-25-23-16(20)21-15(19)22-17(23,2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H4,19,20,21,22)
InChIKeyOSAQQFBQWFOOCP-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.67
Rot. Bonds8

About 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 54166549) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID54166549
Molecular FormulaC17H26ClN5O2
Molecular Weight367.88 g/mol
Exact Mass367.18
IUPAC Name1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1cc(Cl)ccc1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C17H26ClN5O2/c1-4-6-12-11-13(18)7-8-14(12)24-9-5-10-25-23-16(20)21-15(19)22-17(23,2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H4,19,20,21,22)
InChIKeyOSAQQFBQWFOOCP-UHFFFAOYSA-N
XLogP2.67
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 54166549) is 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCc1cc(Cl)ccc1OCCCON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OSAQQFBQWFOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O2/c1-4-6-12-11-13(18)7-8-14(12)24-9-5-10-25-23-16(20)21-15(19)22-17(23,2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 367.88 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54166549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).