2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine

C14H15ClN2O2 — CID 62699199

IUPAC2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
SMILESCCOc1cccc(CCl)c1OCc1ncccn1
InChIInChI=1S/C14H15ClN2O2/c1-2-18-12-6-3-5-11(9-15)14(12)19-10-13-16-7-4-8-17-13/h3-8H,2,9-10H2,1H3
InChIKeyNQAGOENBKLFHSU-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.19
Rot. Bonds6

About 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine

2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine (PubChem CID 62699199) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
PubChem CID62699199
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
SMILESCCOc1cccc(CCl)c1OCc1ncccn1
InChIInChI=1S/C14H15ClN2O2/c1-2-18-12-6-3-5-11(9-15)14(12)19-10-13-16-7-4-8-17-13/h3-8H,2,9-10H2,1H3
InChIKeyNQAGOENBKLFHSU-UHFFFAOYSA-N
XLogP3.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
1-(chloromethyl)-3-ethoxy-2-(3-methylbutoxy)benzene
CID 43366787
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65457606
1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
CID 43366838
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine (CID 62699199) is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine is CCOc1cccc(CCl)c1OCc1ncccn1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine?
The InChIKey is NQAGOENBKLFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-18-12-6-3-5-11(9-15)14(12)19-10-13-16-7-4-8-17-13/h3-8H,2,9-10H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine?
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine has a molecular weight of 278.74 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine is sourced from PubChem (CID 62699199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).