N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine

C16H25NO — CID 116870490

IUPACN-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine
SMILESCCNCC1(c2c(C)c(C)cc(C)c2C)COC1
InChIInChI=1S/C16H25NO/c1-6-17-8-16(9-18-10-16)15-13(4)11(2)7-12(3)14(15)5/h7,17H,6,8-10H2,1-5H3
InChIKeyHKTGMFLOKCBCIM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.80
Rot. Bonds4

About N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine

N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine (PubChem CID 116870490) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine
PubChem CID116870490
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine
SMILESCCNCC1(c2c(C)c(C)cc(C)c2C)COC1
InChIInChI=1S/C16H25NO/c1-6-17-8-16(9-18-10-16)15-13(4)11(2)7-12(3)14(15)5/h7,17H,6,8-10H2,1-5H3
InChIKeyHKTGMFLOKCBCIM-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]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 N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine (CID 116870490) is N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine is CCNCC1(c2c(C)c(C)cc(C)c2C)COC1.
What is the InChIKey of N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine?
The InChIKey is HKTGMFLOKCBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17-8-16(9-18-10-16)15-13(4)11(2)7-12(3)14(15)5/h7,17H,6,8-10H2,1-5H3.
What are the key properties of N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine?
N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]methyl]ethanamine is sourced from PubChem (CID 116870490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).