4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol

C17H16ClN5O — CID 11782811

IUPAC4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H16ClN5O/c18-15-21-16(19-11-10-12-6-8-14(24)9-7-12)23-17(22-15)20-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,20,21,22,23)
InChIKeyGKVQNYVZZKUCTN-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.63
Rot. Bonds6

About 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol

4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol (PubChem CID 11782811) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol
PubChem CID11782811
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(Cl)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H16ClN5O/c18-15-21-16(19-11-10-12-6-8-14(24)9-7-12)23-17(22-15)20-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,20,21,22,23)
InChIKeyGKVQNYVZZKUCTN-UHFFFAOYSA-N
XLogP3.63
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol with MolForge

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Related Compounds

2-({4-[(2-Hydroxyethyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)-4-phenylphenol
CID 23648035
2-{[4-(Diethylamino)-6-(2,5-dimethylanilino)-1,3,5-triazin-2-yl]amino}phenol
CID 1237510
4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-(4-phenyl-piperazin-1-yl)-[1,3,5]triazin-2-ylamino]-ethyl}-phenol
CID 10973721
Phenol, 2-(2-(4-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-4-methyl-
CID 91784
6-(4-methylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 145984056
4-[2-[[4-(5-Aminopentylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 25028470
3-[4-(5-Aminopentylamino)-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]phenol
CID 46232291
4-[2-[[4-(3-Aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 45486430
4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]phenol
CID 72547280
2-[2-[[4-Chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol
CID 122182575
4-Hydroxybenzaldehyde [4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazone
CID 135722691
4-[[[4-Chloro-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
CID 177379251

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol (CID 11782811) is 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol is Oc1ccc(CCNc2nc(Cl)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The InChIKey is GKVQNYVZZKUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-15-21-16(19-11-10-12-6-8-14(24)9-7-12)23-17(22-15)20-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,20,21,22,23).
What are the key properties of 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol?
4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol has a molecular weight of 341.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 11782811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).