1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C19H24ClN5O2 — CID 50939110

IUPAC1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(OCCCN2C(N)=NC(N)=NC2c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-25-15-8-10-16(11-9-15)26-13-5-12-24-17(14-6-3-2-4-7-14)22-18(20)23-19(24)21;/h2-4,6-11,17H,5,12-13H2,1H3,(H4,20,21,22,23);1H
InChIKeyICRJGWRMWBOVRJ-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.53
Rot. Bonds7

About 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 50939110) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID50939110
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(OCCCN2C(N)=NC(N)=NC2c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-25-15-8-10-16(11-9-15)26-13-5-12-24-17(14-6-3-2-4-7-14)22-18(20)23-19(24)21;/h2-4,6-11,17H,5,12-13H2,1H3,(H4,20,21,22,23);1H
InChIKeyICRJGWRMWBOVRJ-UHFFFAOYSA-N
XLogP2.53
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.53
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-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 50939110) is 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is COc1ccc(OCCCN2C(N)=NC(N)=NC2c2ccccc2)cc1.Cl.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is ICRJGWRMWBOVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-25-15-8-10-16(11-9-15)26-13-5-12-24-17(14-6-3-2-4-7-14)22-18(20)23-19(24)21;/h2-4,6-11,17H,5,12-13H2,1H3,(H4,20,21,22,23);1H.
What are the key properties of 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propyl]-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 50939110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).