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

C14H13BrF2N2O — CID 107101003

IUPAC2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-2-18-10-3-4-19-11(7-10)8-20-13-6-9(15)5-12(16)14(13)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyGKOFLFDLUCPFAE-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.13
Rot. Bonds5

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

2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine (PubChem CID 107101003) has the molecular formula C14H13BrF2N2O and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
PubChem CID107101003
Molecular FormulaC14H13BrF2N2O
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-2-18-10-3-4-19-11(7-10)8-20-13-6-9(15)5-12(16)14(13)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyGKOFLFDLUCPFAE-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
CID 107102586
2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 116689899
2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
CID 79259695
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
3-[(5-bromo-2,3-difluorophenoxy)methyl]-1-pentan-3-ylpyrazole
CID 107098632
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
CID 104832414
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine (CID 107101003) is 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(COc2cc(Br)cc(F)c2F)c1.
What is the InChIKey of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The InChIKey is GKOFLFDLUCPFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O/c1-2-18-10-3-4-19-11(7-10)8-20-13-6-9(15)5-12(16)14(13)17/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine?
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine has a molecular weight of 343.17 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 107101003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).