2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol

C18H16ClFN4O2 — CID 71599534

IUPAC2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C18H16ClFN4O2/c1-26-18-23-16(12-4-7-14(19)15(25)10-12)22-17(24-18)21-9-8-11-2-5-13(20)6-3-11/h2-7,10,25H,8-9H2,1H3,(H,21,22,23,24)
InChIKeyBFNCNWIKJXRJMF-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.70
Rot. Bonds6

About 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol

2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol (PubChem CID 71599534) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol
PubChem CID71599534
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(O)c2)n1
InChIInChI=1S/C18H16ClFN4O2/c1-26-18-23-16(12-4-7-14(19)15(25)10-12)22-17(24-18)21-9-8-11-2-5-13(20)6-3-11/h2-7,10,25H,8-9H2,1H3,(H,21,22,23,24)
InChIKeyBFNCNWIKJXRJMF-UHFFFAOYSA-N
XLogP3.70
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide
CID 71599626
N-[3-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]propyl]methanesulfonamide
CID 71599627
2-{4-Amino-6-[(2-phenylethyl)amino]-1,3,5-triazin-2-yl}-4-chlorophenol
CID 826991
2-[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetic acid
CID 71599624
[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl] ethaneperoxoate
CID 89619223
[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl] acetate
CID 89619224
4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118876254
4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118876255
4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine
CID 118876258
3-[4-Amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]phenol
CID 44214804
4-[2-[(4-Methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol
CID 117093022
4-[1-[[4-[4-Chloro-3-(2-hydroxypropan-2-yl)phenyl]-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 89619317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol (CID 71599534) is 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(O)c2)n1.
What is the InChIKey of 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol?
The InChIKey is BFNCNWIKJXRJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-26-18-23-16(12-4-7-14(19)15(25)10-12)22-17(24-18)21-9-8-11-2-5-13(20)6-3-11/h2-7,10,25H,8-9H2,1H3,(H,21,22,23,24).
What are the key properties of 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol?
2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol has a molecular weight of 374.80 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 71599534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).