2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine

C16H25NO — CID 55020520

IUPAC2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)OC2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)16(11-17)18-15-8-4-6-13(2)10-15/h3,5,7,9,13,15-16H,4,6,8,10-11,17H2,1-2H3
InChIKeyAHKHMILWLPXBMX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds4

About 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine

2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine (PubChem CID 55020520) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
PubChem CID55020520
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)OC2CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)16(11-17)18-15-8-4-6-13(2)10-15/h3,5,7,9,13,15-16H,4,6,8,10-11,17H2,1-2H3
InChIKeyAHKHMILWLPXBMX-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine 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-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine (CID 55020520) is 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)OC2CCCC(C)C2)c1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine?
The InChIKey is AHKHMILWLPXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)16(11-17)18-15-8-4-6-13(2)10-15/h3,5,7,9,13,15-16H,4,6,8,10-11,17H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine?
2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55020520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).