3-(4-ethylcyclohexyl)oxy-4-methylaniline

C15H23NO — CID 64749047

IUPAC3-(4-ethylcyclohexyl)oxy-4-methylaniline
SMILESCCC1CCC(Oc2cc(N)ccc2C)CC1
InChIInChI=1S/C15H23NO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9,16H2,1-2H3
InChIKeyLDEXOTJMQTWRBR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.92
Rot. Bonds3

About 3-(4-ethylcyclohexyl)oxy-4-methylaniline

3-(4-ethylcyclohexyl)oxy-4-methylaniline (PubChem CID 64749047) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)oxy-4-methylaniline.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)oxy-4-methylaniline
PubChem CID64749047
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4-ethylcyclohexyl)oxy-4-methylaniline
SMILESCCC1CCC(Oc2cc(N)ccc2C)CC1
InChIInChI=1S/C15H23NO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9,16H2,1-2H3
InChIKeyLDEXOTJMQTWRBR-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.92
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-(4-ethylcyclohexyl)oxy-4-methylaniline?
The IUPAC name of 3-(4-ethylcyclohexyl)oxy-4-methylaniline (CID 64749047) is 3-(4-ethylcyclohexyl)oxy-4-methylaniline.
What is the SMILES notation for 3-(4-ethylcyclohexyl)oxy-4-methylaniline?
The canonical SMILES for 3-(4-ethylcyclohexyl)oxy-4-methylaniline is CCC1CCC(Oc2cc(N)ccc2C)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)oxy-4-methylaniline?
The InChIKey is LDEXOTJMQTWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-12-5-8-14(9-6-12)17-15-10-13(16)7-4-11(15)2/h4,7,10,12,14H,3,5-6,8-9,16H2,1-2H3.
What are the key properties of 3-(4-ethylcyclohexyl)oxy-4-methylaniline?
3-(4-ethylcyclohexyl)oxy-4-methylaniline has a molecular weight of 233.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)oxy-4-methylaniline is sourced from PubChem (CID 64749047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).