6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine

C15H16BrClN2O — CID 82831291

IUPAC6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrClN2O/c1-2-18-15-8-7-13(17)14(19-15)10-20-9-11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyXGPKWEOFRVUOPW-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.65
Rot. Bonds6

About 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine

6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine (PubChem CID 82831291) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
PubChem CID82831291
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrClN2O/c1-2-18-15-8-7-13(17)14(19-15)10-20-9-11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyXGPKWEOFRVUOPW-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
CID 106449250
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 63485313
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
CID 63485322
5-chloro-N-ethyl-6-(4-methylpentoxymethyl)pyridin-2-amine
CID 62885644
5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
5-chloro-N-ethyl-6-(1-phenylethoxymethyl)pyridin-2-amine
CID 62885810
2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80653921
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
5-chloro-6-[(2,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 63484940
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
CID 63649715

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine (CID 82831291) is 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(COCc2ccc(Br)cc2)n1.
What is the InChIKey of 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine?
The InChIKey is XGPKWEOFRVUOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-2-18-15-8-7-13(17)14(19-15)10-20-9-11-3-5-12(16)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine?
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 82831291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).