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

C21H23FN4O2 — CID 118986944

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C21H23FN4O2/c1-14(2)28-18-6-4-5-16(13-18)19-24-20(26-21(25-19)27-3)23-12-11-15-7-9-17(22)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25,26)
InChIKeyNXSOPRBIDUDKPC-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.13
Rot. Bonds8

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

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 118986944) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
PubChem CID118986944
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C21H23FN4O2/c1-14(2)28-18-6-4-5-16(13-18)19-24-20(26-21(25-19)27-3)23-12-11-15-7-9-17(22)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25,26)
InChIKeyNXSOPRBIDUDKPC-UHFFFAOYSA-N
XLogP4.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 10154897
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 10475231
4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 12088080
6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393074
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393088
2-[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenoxy]acetamide
CID 71599626
6-fluoro-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393072
CID 127036397
CID 127036397
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine (CID 118986944) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2cccc(OC(C)C)c2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is NXSOPRBIDUDKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(2)28-18-6-4-5-16(13-18)19-24-20(26-21(25-19)27-3)23-12-11-15-7-9-17(22)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 4.13, 8 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-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118986944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).