3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline

C16H25NO2 — CID 64746488

IUPAC3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline
SMILESCC1CCC(OCCOc2cccc(N)c2)CC1C
InChIInChI=1S/C16H25NO2/c1-12-6-7-16(10-13(12)2)19-9-8-18-15-5-3-4-14(17)11-15/h3-5,11-13,16H,6-10,17H2,1-2H3
InChIKeyORAQJGNWUNFCEB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds5

About 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline

3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline (PubChem CID 64746488) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline.

Molecular Properties

Compound Name3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline
PubChem CID64746488
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline
SMILESCC1CCC(OCCOc2cccc(N)c2)CC1C
InChIInChI=1S/C16H25NO2/c1-12-6-7-16(10-13(12)2)19-9-8-18-15-5-3-4-14(17)11-15/h3-5,11-13,16H,6-10,17H2,1-2H3
InChIKeyORAQJGNWUNFCEB-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline?
The IUPAC name of 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline (CID 64746488) is 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline.
What is the SMILES notation for 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline?
The canonical SMILES for 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline is CC1CCC(OCCOc2cccc(N)c2)CC1C.
What is the InChIKey of 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline?
The InChIKey is ORAQJGNWUNFCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-16(10-13(12)2)19-9-8-18-15-5-3-4-14(17)11-15/h3-5,11-13,16H,6-10,17H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline?
3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline has a molecular weight of 263.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline is sourced from PubChem (CID 64746488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).