3-(dicyclopropylmethylamino)-2,6-dimethylphenol

C15H21NO — CID 43741846

IUPAC3-(dicyclopropylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC(C2CC2)C2CC2)c(C)c1O
InChIInChI=1S/C15H21NO/c1-9-3-8-13(10(2)15(9)17)16-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,16-17H,4-7H2,1-2H3
InChIKeyDFZJIHCMRNTONY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.61
Rot. Bonds4

About 3-(dicyclopropylmethylamino)-2,6-dimethylphenol

3-(dicyclopropylmethylamino)-2,6-dimethylphenol (PubChem CID 43741846) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-2,6-dimethylphenol
PubChem CID43741846
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(dicyclopropylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC(C2CC2)C2CC2)c(C)c1O
InChIInChI=1S/C15H21NO/c1-9-3-8-13(10(2)15(9)17)16-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,16-17H,4-7H2,1-2H3
InChIKeyDFZJIHCMRNTONY-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(dicyclopropylmethylamino)-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(dicyclopropylmethylamino)-2,6-dimethylphenol (CID 43741846) is 3-(dicyclopropylmethylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(dicyclopropylmethylamino)-2,6-dimethylphenol is Cc1ccc(NC(C2CC2)C2CC2)c(C)c1O.
What is the InChIKey of 3-(dicyclopropylmethylamino)-2,6-dimethylphenol?
The InChIKey is DFZJIHCMRNTONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-3-8-13(10(2)15(9)17)16-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,16-17H,4-7H2,1-2H3.
What are the key properties of 3-(dicyclopropylmethylamino)-2,6-dimethylphenol?
3-(dicyclopropylmethylamino)-2,6-dimethylphenol has a molecular weight of 231.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)-2,6-dimethylphenol is sourced from PubChem (CID 43741846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).