5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine

C14H14BrFN2O — CID 83235069

IUPAC5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-14-6-3-10(8-18-14)9-19-11-4-5-13(16)12(15)7-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyNQKKAOKWAGBFLM-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds5

About 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine

5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 83235069) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID83235069
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C14H14BrFN2O/c1-2-17-14-6-3-10(8-18-14)9-19-11-4-5-13(16)12(15)7-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyNQKKAOKWAGBFLM-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-ethyl-5-[(4-ethylphenoxy)methyl]pyridin-2-amine
CID 55044783
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725734
N-ethyl-5-[(4-propylphenoxy)methyl]pyridin-2-amine
CID 62548057
[4-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 55044751
N-ethyl-5-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 62195699
5-[(2,4-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 64719771
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
[3-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62189596
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine (CID 83235069) is 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(COc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is NQKKAOKWAGBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-17-14-6-3-10(8-18-14)9-19-11-4-5-13(16)12(15)7-11/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-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 5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 83235069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).