1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

C18H28BrN5O3 — CID 44522556

IUPAC1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.C=CCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C18H27N5O3.BrH/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3;/h5-6,9-10H,1,7-8,11-12H2,2-4H3,(H4,19,20,21,22);1H
InChIKeyYARLLPKIANHYCH-UHFFFAOYSA-N
MW442.36 g/mol
LogP2.38
Rot. Bonds9

About 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 44522556) has the molecular formula C18H28BrN5O3 and a molecular weight of 442.36 g/mol. Its IUPAC name is 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID44522556
Molecular FormulaC18H28BrN5O3
Molecular Weight442.36 g/mol
Exact Mass441.14
IUPAC Name1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.C=CCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C18H27N5O3.BrH/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3;/h5-6,9-10H,1,7-8,11-12H2,2-4H3,(H4,19,20,21,22);1H
InChIKeyYARLLPKIANHYCH-UHFFFAOYSA-N
XLogP2.38
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide 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

1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44523074
1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44522559
2-butoxy-1-methoxy-3-prop-2-enylbenzene
CID 24770490
1-[3-(2,3-dihydro-1H-inden-4-yloxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120422
1-[3-(3-ethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522509
2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
CID 2300047
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
CID 146681529
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
1-[(2-chloro-5-phenylphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 44522556) is 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.C=CCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is YARLLPKIANHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3.BrH/c1-5-8-13-9-6-10-14(24-4)15(13)25-11-7-12-26-23-17(20)21-16(19)22-18(23,2)3;/h5-6,9-10H,1,7-8,11-12H2,2-4H3,(H4,19,20,21,22);1H.
What are the key properties of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 442.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 44522556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).