4-(2-bromo-4-ethoxyphenoxy)aniline

C14H14BrNO2 — CID 22688226

IUPAC4-(2-bromo-4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-2-17-12-7-8-14(13(15)9-12)18-11-5-3-10(16)4-6-11/h3-9H,2,16H2,1H3
InChIKeyJHHWJHYQTHPOJV-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.22
Rot. Bonds4

About 4-(2-bromo-4-ethoxyphenoxy)aniline

4-(2-bromo-4-ethoxyphenoxy)aniline (PubChem CID 22688226) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(2-bromo-4-ethoxyphenoxy)aniline.

Molecular Properties

Compound Name4-(2-bromo-4-ethoxyphenoxy)aniline
PubChem CID22688226
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-(2-bromo-4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-2-17-12-7-8-14(13(15)9-12)18-11-5-3-10(16)4-6-11/h3-9H,2,16H2,1H3
InChIKeyJHHWJHYQTHPOJV-UHFFFAOYSA-N
XLogP4.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
CID 63736549
2-(2-bromo-4-ethoxyphenoxy)-1,3-thiazole-5-carbonitrile
CID 67096905
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-(4-bromo-2-ethylphenoxy)aniline
CID 22688224
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
4-(2-bromo-4,5-difluorophenoxy)aniline
CID 86811267
2,6-dibromo-4-ethoxyaniline
CID 14043930

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethoxyphenoxy)aniline?
The IUPAC name of 4-(2-bromo-4-ethoxyphenoxy)aniline (CID 22688226) is 4-(2-bromo-4-ethoxyphenoxy)aniline.
What is the SMILES notation for 4-(2-bromo-4-ethoxyphenoxy)aniline?
The canonical SMILES for 4-(2-bromo-4-ethoxyphenoxy)aniline is CCOc1ccc(Oc2ccc(N)cc2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethoxyphenoxy)aniline?
The InChIKey is JHHWJHYQTHPOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-2-17-12-7-8-14(13(15)9-12)18-11-5-3-10(16)4-6-11/h3-9H,2,16H2,1H3.
What are the key properties of 4-(2-bromo-4-ethoxyphenoxy)aniline?
4-(2-bromo-4-ethoxyphenoxy)aniline has a molecular weight of 308.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethoxyphenoxy)aniline is sourced from PubChem (CID 22688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).