1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine

C16H23ClN4O2 — CID 159252436

IUPAC1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine
SMILESCC1=NC(C)(C)N(OCCCOc2ccc(C)cc2Cl)C(N)=N1
InChIInChI=1S/C16H23ClN4O2/c1-11-6-7-14(13(17)10-11)22-8-5-9-23-21-15(18)19-12(2)20-16(21,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,19,20)
InChIKeyRHUVWODAOROAGO-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.13
Rot. Bonds6

About 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine

1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine (PubChem CID 159252436) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine
PubChem CID159252436
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine
SMILESCC1=NC(C)(C)N(OCCCOc2ccc(C)cc2Cl)C(N)=N1
InChIInChI=1S/C16H23ClN4O2/c1-11-6-7-14(13(17)10-11)22-8-5-9-23-21-15(18)19-12(2)20-16(21,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,19,20)
InChIKeyRHUVWODAOROAGO-UHFFFAOYSA-N
XLogP3.13
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chloro-4-fluorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 162664347
1-[3-(4-chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10871077
1-[3-(3,4-dimethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522958
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 134098766
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44523074
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172
4-[3-(2-chloro-4-methylphenoxy)propoxy]benzonitrile
CID 63512823
1-[3-(2,3-dihydro-1H-inden-4-yloxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120422
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine (CID 159252436) is 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine is CC1=NC(C)(C)N(OCCCOc2ccc(C)cc2Cl)C(N)=N1.
What is the InChIKey of 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine?
The InChIKey is RHUVWODAOROAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-11-6-7-14(13(17)10-11)22-8-5-9-23-21-15(18)19-12(2)20-16(21,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine?
1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine has a molecular weight of 338.84 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-methylphenoxy)propoxy]-4,6,6-trimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 159252436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).