2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol

C17H27NO — CID 714483

IUPAC2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-13-10-14(12-18(3)4)16(19)15(11-13)17(2)8-6-5-7-9-17/h10-11,19H,5-9,12H2,1-4H3
InChIKeyMNMBYGSLWJITRQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol

2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol (PubChem CID 714483) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
PubChem CID714483
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-13-10-14(12-18(3)4)16(19)15(11-13)17(2)8-6-5-7-9-17/h10-11,19H,5-9,12H2,1-4H3
InChIKeyMNMBYGSLWJITRQ-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol 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 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol (CID 714483) is 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol is Cc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
The InChIKey is MNMBYGSLWJITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-10-14(12-18(3)4)16(19)15(11-13)17(2)8-6-5-7-9-17/h10-11,19H,5-9,12H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol?
2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol has a molecular weight of 261.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol is sourced from PubChem (CID 714483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).