5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline

C14H19BrFNO — CID 66109591

IUPAC5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
SMILESCCC1CCCC(Oc2cc(F)c(Br)cc2N)C1
InChIInChI=1S/C14H19BrFNO/c1-2-9-4-3-5-10(6-9)18-14-8-12(16)11(15)7-13(14)17/h7-10H,2-6,17H2,1H3
InChIKeyYGOIIZRRWDXQAQ-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.52
Rot. Bonds3

About 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline

5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline (PubChem CID 66109591) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
PubChem CID66109591
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
SMILESCCC1CCCC(Oc2cc(F)c(Br)cc2N)C1
InChIInChI=1S/C14H19BrFNO/c1-2-9-4-3-5-10(6-9)18-14-8-12(16)11(15)7-13(14)17/h7-10H,2-6,17H2,1H3
InChIKeyYGOIIZRRWDXQAQ-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
4-bromo-2-(4,4-dimethylcyclohexyl)oxy-5-fluoroaniline
CID 114340413
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
4-bromo-2-(2,6-dimethyloxan-4-yl)oxy-5-fluoroaniline
CID 116736563
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
CID 114904900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline (CID 66109591) is 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline is CCC1CCCC(Oc2cc(F)c(Br)cc2N)C1.
What is the InChIKey of 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline?
The InChIKey is YGOIIZRRWDXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-9-4-3-5-10(6-9)18-14-8-12(16)11(15)7-13(14)17/h7-10H,2-6,17H2,1H3.
What are the key properties of 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline?
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline has a molecular weight of 316.21 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline is sourced from PubChem (CID 66109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).