4-(4-bromo-2-ethylphenoxy)aniline

C14H14BrNO — CID 22688224

IUPAC4-(4-bromo-2-ethylphenoxy)aniline
SMILESCCc1cc(Br)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C14H14BrNO/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13/h3-9H,2,16H2,1H3
InChIKeyVGCQBJUBVPKZGX-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.39
Rot. Bonds3

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

4-(4-bromo-2-ethylphenoxy)aniline (PubChem CID 22688224) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(4-bromo-2-ethylphenoxy)aniline.

Molecular Properties

Compound Name4-(4-bromo-2-ethylphenoxy)aniline
PubChem CID22688224
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name4-(4-bromo-2-ethylphenoxy)aniline
SMILESCCc1cc(Br)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C14H14BrNO/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13/h3-9H,2,16H2,1H3
InChIKeyVGCQBJUBVPKZGX-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
CID 19025155
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
4-[(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116925979
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
5-bromo-2-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 26190475
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-ethylphenoxy)aniline?
The IUPAC name of 4-(4-bromo-2-ethylphenoxy)aniline (CID 22688224) is 4-(4-bromo-2-ethylphenoxy)aniline.
What is the SMILES notation for 4-(4-bromo-2-ethylphenoxy)aniline?
The canonical SMILES for 4-(4-bromo-2-ethylphenoxy)aniline is CCc1cc(Br)ccc1Oc1ccc(N)cc1.
What is the InChIKey of 4-(4-bromo-2-ethylphenoxy)aniline?
The InChIKey is VGCQBJUBVPKZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13/h3-9H,2,16H2,1H3.
What are the key properties of 4-(4-bromo-2-ethylphenoxy)aniline?
4-(4-bromo-2-ethylphenoxy)aniline has a molecular weight of 292.18 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-ethylphenoxy)aniline is sourced from PubChem (CID 22688224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).