3-bromo-5-(2-ethylcyclohexyl)oxyaniline

C14H20BrNO — CID 103588346

IUPAC3-bromo-5-(2-ethylcyclohexyl)oxyaniline
SMILESCCC1CCCCC1Oc1cc(N)cc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14H,2-6,16H2,1H3
InChIKeyXLNAPMJBNMAOAP-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.38
Rot. Bonds3

About 3-bromo-5-(2-ethylcyclohexyl)oxyaniline

3-bromo-5-(2-ethylcyclohexyl)oxyaniline (PubChem CID 103588346) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-bromo-5-(2-ethylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-bromo-5-(2-ethylcyclohexyl)oxyaniline
PubChem CID103588346
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-bromo-5-(2-ethylcyclohexyl)oxyaniline
SMILESCCC1CCCCC1Oc1cc(N)cc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14H,2-6,16H2,1H3
InChIKeyXLNAPMJBNMAOAP-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethylcyclohexyl)oxyaniline?
The IUPAC name of 3-bromo-5-(2-ethylcyclohexyl)oxyaniline (CID 103588346) is 3-bromo-5-(2-ethylcyclohexyl)oxyaniline.
What is the SMILES notation for 3-bromo-5-(2-ethylcyclohexyl)oxyaniline?
The canonical SMILES for 3-bromo-5-(2-ethylcyclohexyl)oxyaniline is CCC1CCCCC1Oc1cc(N)cc(Br)c1.
What is the InChIKey of 3-bromo-5-(2-ethylcyclohexyl)oxyaniline?
The InChIKey is XLNAPMJBNMAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-10-5-3-4-6-14(10)17-13-8-11(15)7-12(16)9-13/h7-10,14H,2-6,16H2,1H3.
What are the key properties of 3-bromo-5-(2-ethylcyclohexyl)oxyaniline?
3-bromo-5-(2-ethylcyclohexyl)oxyaniline has a molecular weight of 298.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-ethylcyclohexyl)oxyaniline is sourced from PubChem (CID 103588346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).