3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol

C15H23NO — CID 154316033

IUPAC3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
SMILESCc1cc(C2CCCCC2)c(CN)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-8-13(12-6-4-3-5-7-12)14(9-16)11(2)15(10)17/h8,12,17H,3-7,9,16H2,1-2H3
InChIKeyLSZFORICJGTOBQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.52
Rot. Bonds2

About 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol

3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol (PubChem CID 154316033) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
PubChem CID154316033
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
SMILESCc1cc(C2CCCCC2)c(CN)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-8-13(12-6-4-3-5-7-12)14(9-16)11(2)15(10)17/h8,12,17H,3-7,9,16H2,1-2H3
InChIKeyLSZFORICJGTOBQ-UHFFFAOYSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol?
The IUPAC name of 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol (CID 154316033) is 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol.
What is the SMILES notation for 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol?
The canonical SMILES for 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol is Cc1cc(C2CCCCC2)c(CN)c(C)c1O.
What is the InChIKey of 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol?
The InChIKey is LSZFORICJGTOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-8-13(12-6-4-3-5-7-12)14(9-16)11(2)15(10)17/h8,12,17H,3-7,9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol?
3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol is sourced from PubChem (CID 154316033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).