N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine

C14H14BrFN2O — CID 63590046

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-14-5-3-4-13(18-14)17-9-10-8-11(15)6-7-12(10)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyGVQXTTRUTOAROZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine (PubChem CID 63590046) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
PubChem CID63590046
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-14-5-3-4-13(18-14)17-9-10-8-11(15)6-7-12(10)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyGVQXTTRUTOAROZ-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107874557
N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
CID 103110789
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
CID 107233084
[6-[(5-bromo-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264641
5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine
CID 86814617
6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372443
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine (CID 63590046) is N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine?
The InChIKey is GVQXTTRUTOAROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-19-14-5-3-4-13(18-14)17-9-10-8-11(15)6-7-12(10)16/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine has a molecular weight of 325.18 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 63590046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).