[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine

C15H15BrFNO2 — CID 43531314

IUPAC[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7,10,18H2
InChIKeyUMRMUYBEBSYVJT-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.50
Rot. Bonds6

About [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine

[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 43531314) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
PubChem CID43531314
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7,10,18H2
InChIKeyUMRMUYBEBSYVJT-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
4-[2-(3-bromophenoxy)ethoxy]-3-fluorobenzonitrile
CID 107667700
[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
CID 43531172
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine (CID 43531314) is [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine is NCc1cccc(OCCOc2ccc(Br)cc2F)c1.
What is the InChIKey of [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is UMRMUYBEBSYVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7,10,18H2.
What are the key properties of [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine?
[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43531314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).