6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine

C14H13BrClFN2O — CID 63485322

IUPAC6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-14-6-4-10(16)12(19-14)8-20-13-5-3-9(15)7-11(13)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyLAUCXXLRBGUHNN-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.65
Rot. Bonds5

About 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine

6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine (PubChem CID 63485322) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
PubChem CID63485322
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H13BrClFN2O/c1-2-18-14-6-4-10(16)12(19-14)8-20-13-5-3-9(15)7-11(13)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyLAUCXXLRBGUHNN-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 63485313
5-chloro-6-[(2,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 63484940
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
CID 82831291
5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 63484955
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
CID 63649715
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486695
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
5-chloro-6-[(2,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63273486
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
5-[(2,4-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 64719771

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine (CID 63485322) is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine?
The InChIKey is LAUCXXLRBGUHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-2-18-14-6-4-10(16)12(19-14)8-20-13-5-3-9(15)7-11(13)17/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine?
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine has a molecular weight of 359.63 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 63485322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).