3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol

C20H21ClN4O — CID 74221498

IUPAC3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol
SMILESCCc1nc(Nc2ccc(CCCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-2-18-23-19(15-6-3-7-16(21)13-15)25-20(24-18)22-17-10-8-14(9-11-17)5-4-12-26/h3,6-11,13,26H,2,4-5,12H2,1H3,(H,22,23,24,25)
InChIKeyKNVNEIXIAYZSMU-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.42
Rot. Bonds7

About 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol

3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol (PubChem CID 74221498) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol
PubChem CID74221498
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol
SMILESCCc1nc(Nc2ccc(CCCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-2-18-23-19(15-6-3-7-16(21)13-15)25-20(24-18)22-17-10-8-14(9-11-17)5-4-12-26/h3,6-11,13,26H,2,4-5,12H2,1H3,(H,22,23,24,25)
InChIKeyKNVNEIXIAYZSMU-UHFFFAOYSA-N
XLogP4.42
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol with MolForge

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Related Compounds

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
(4-{[4-(3-Chlorophenyl)-6-Cyclopropyl-1,3,5-Triazin-2-Yl]amino}phenyl)acetic Acid
CID 74221165
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
2-[4-[[4-(4-Chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221166
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221168
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile
CID 74221297
4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzonitrile
CID 74221298
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid
CID 74221361
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropanoic acid
CID 74221363
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-yl)amino)phenyl)methanol
CID 74221497
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol (CID 74221498) is 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol is CCc1nc(Nc2ccc(CCCO)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol?
The InChIKey is KNVNEIXIAYZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-2-18-23-19(15-6-3-7-16(21)13-15)25-20(24-18)22-17-10-8-14(9-11-17)5-4-12-26/h3,6-11,13,26H,2,4-5,12H2,1H3,(H,22,23,24,25).
What are the key properties of 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol?
3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol has a molecular weight of 368.87 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propan-1-ol is sourced from PubChem (CID 74221498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).