4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline

C15H22FNO — CID 114416205

IUPAC4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
SMILESCCC1CCCC(Oc2cc(C)c(N)cc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-11-5-4-6-12(8-11)18-15-7-10(2)14(17)9-13(15)16/h7,9,11-12H,3-6,8,17H2,1-2H3
InChIKeyIUTZVFIFHLQSDU-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.06
Rot. Bonds3

About 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline

4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline (PubChem CID 114416205) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
PubChem CID114416205
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
SMILESCCC1CCCC(Oc2cc(C)c(N)cc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-11-5-4-6-12(8-11)18-15-7-10(2)14(17)9-13(15)16/h7,9,11-12H,3-6,8,17H2,1-2H3
InChIKeyIUTZVFIFHLQSDU-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.06
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

5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64748812
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
[4-(3-ethylcyclohexyl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81250323
1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline (CID 114416205) is 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline is CCC1CCCC(Oc2cc(C)c(N)cc2F)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline?
The InChIKey is IUTZVFIFHLQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-11-5-4-6-12(8-11)18-15-7-10(2)14(17)9-13(15)16/h7,9,11-12H,3-6,8,17H2,1-2H3.
What are the key properties of 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline?
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline has a molecular weight of 251.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline is sourced from PubChem (CID 114416205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).