N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

C14H15BrFN3O — CID 83195724

IUPACN-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(F)cc(Br)c2)nc1C
InChIInChI=1S/C14H15BrFN3O/c1-3-17-7-10-8-18-14(19-9(10)2)20-13-5-11(15)4-12(16)6-13/h4-6,8,17H,3,7H2,1-2H3
InChIKeyQVNWBEIBQCIPIA-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.59
Rot. Bonds5

About N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83195724) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83195724
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC NameN-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(F)cc(Br)c2)nc1C
InChIInChI=1S/C14H15BrFN3O/c1-3-17-7-10-8-18-14(19-9(10)2)20-13-5-11(15)4-12(16)6-13/h4-6,8,17H,3,7H2,1-2H3
InChIKeyQVNWBEIBQCIPIA-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 81326086
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179
N-[[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 81326230
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83195724) is N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Oc2cc(F)cc(Br)c2)nc1C.
What is the InChIKey of N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is QVNWBEIBQCIPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-17-7-10-8-18-14(19-9(10)2)20-13-5-11(15)4-12(16)6-13/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 340.20 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83195724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).