N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine

C19H19FN4O2 — CID 71599188

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(NCCc3ccc(F)cc3)nc(OC)n2)c1
InChIInChI=1S/C19H19FN4O2/c1-25-16-5-3-4-14(12-16)17-22-18(24-19(23-17)26-2)21-11-10-13-6-8-15(20)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,24)
InChIKeyVGWNTCLRRZPPOC-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 71599188) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID71599188
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2nc(NCCc3ccc(F)cc3)nc(OC)n2)c1
InChIInChI=1S/C19H19FN4O2/c1-25-16-5-3-4-14(12-16)17-22-18(24-19(23-17)26-2)21-11-10-13-6-8-15(20)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,24)
InChIKeyVGWNTCLRRZPPOC-UHFFFAOYSA-N
XLogP3.35
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
2-[4-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599354
5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
CID 71599625
2-[5-[4-[2-[4-(Fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599709
2-((4-(2-Fluoro-5-methoxyphenyl)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile
CID 117799404
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 117817112
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[3-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 117817309
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
4-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118986948
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118986949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine (CID 71599188) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine is COc1cccc(-c2nc(NCCc3ccc(F)cc3)nc(OC)n2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is VGWNTCLRRZPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-25-16-5-3-4-14(12-16)17-22-18(24-19(23-17)26-2)21-11-10-13-6-8-15(20)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 354.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71599188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).