2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine

C16H25NO2 — CID 79836751

IUPAC2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
SMILESCC1(C)CCCC(OCCOc2ccccc2)C1N
InChIInChI=1S/C16H25NO2/c1-16(2)10-6-9-14(15(16)17)19-12-11-18-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3
InChIKeyYRKNAOWHTBUBIM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine

2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine (PubChem CID 79836751) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
PubChem CID79836751
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
SMILESCC1(C)CCCC(OCCOc2ccccc2)C1N
InChIInChI=1S/C16H25NO2/c1-16(2)10-6-9-14(15(16)17)19-12-11-18-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3
InChIKeyYRKNAOWHTBUBIM-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine (CID 79836751) is 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine is CC1(C)CCCC(OCCOc2ccccc2)C1N.
What is the InChIKey of 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine?
The InChIKey is YRKNAOWHTBUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)10-6-9-14(15(16)17)19-12-11-18-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine?
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine is sourced from PubChem (CID 79836751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).