[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine

C15H16BrNO2 — CID 102814466

IUPAC[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
SMILESCCOc1ccccc1Oc1cc(Br)cc(CN)c1
InChIInChI=1S/C15H16BrNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-11(10-17)7-12(16)9-13/h3-9H,2,10,17H2,1H3
InChIKeyAIKQMDMTVJLNEU-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.10
Rot. Bonds5

About [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine

[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine (PubChem CID 102814466) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
PubChem CID102814466
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
SMILESCCOc1ccccc1Oc1cc(Br)cc(CN)c1
InChIInChI=1S/C15H16BrNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-11(10-17)7-12(16)9-13/h3-9H,2,10,17H2,1H3
InChIKeyAIKQMDMTVJLNEU-UHFFFAOYSA-N
XLogP4.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 102814464
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
[3-bromo-5-(2-butoxyethoxy)phenyl]methanamine
CID 102814553
[3-bromo-5-(4-methylpentoxy)phenyl]methanamine
CID 102814559
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine (CID 102814466) is [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine is CCOc1ccccc1Oc1cc(Br)cc(CN)c1.
What is the InChIKey of [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine?
The InChIKey is AIKQMDMTVJLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-11(10-17)7-12(16)9-13/h3-9H,2,10,17H2,1H3.
What are the key properties of [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine?
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine has a molecular weight of 322.20 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 102814466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).