2-[2-(2-methylcyclohexyl)oxyethyl]aniline

C15H23NO — CID 62497263

IUPAC2-[2-(2-methylcyclohexyl)oxyethyl]aniline
SMILESCC1CCCCC1OCCc1ccccc1N
InChIInChI=1S/C15H23NO/c1-12-6-2-5-9-15(12)17-11-10-13-7-3-4-8-14(13)16/h3-4,7-8,12,15H,2,5-6,9-11,16H2,1H3
InChIKeyBQTKVKJLSZFVGD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.41
Rot. Bonds4

About 2-[2-(2-methylcyclohexyl)oxyethyl]aniline

2-[2-(2-methylcyclohexyl)oxyethyl]aniline (PubChem CID 62497263) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[2-(2-methylcyclohexyl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(2-methylcyclohexyl)oxyethyl]aniline
PubChem CID62497263
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[2-(2-methylcyclohexyl)oxyethyl]aniline
SMILESCC1CCCCC1OCCc1ccccc1N
InChIInChI=1S/C15H23NO/c1-12-6-2-5-9-15(12)17-11-10-13-7-3-4-8-14(13)16/h3-4,7-8,12,15H,2,5-6,9-11,16H2,1H3
InChIKeyBQTKVKJLSZFVGD-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.41
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 2-[2-(2-methylcyclohexyl)oxyethyl]aniline?
The IUPAC name of 2-[2-(2-methylcyclohexyl)oxyethyl]aniline (CID 62497263) is 2-[2-(2-methylcyclohexyl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(2-methylcyclohexyl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(2-methylcyclohexyl)oxyethyl]aniline is CC1CCCCC1OCCc1ccccc1N.
What is the InChIKey of 2-[2-(2-methylcyclohexyl)oxyethyl]aniline?
The InChIKey is BQTKVKJLSZFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-2-5-9-15(12)17-11-10-13-7-3-4-8-14(13)16/h3-4,7-8,12,15H,2,5-6,9-11,16H2,1H3.
What are the key properties of 2-[2-(2-methylcyclohexyl)oxyethyl]aniline?
2-[2-(2-methylcyclohexyl)oxyethyl]aniline has a molecular weight of 233.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylcyclohexyl)oxyethyl]aniline is sourced from PubChem (CID 62497263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).