1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine

C17H27NO — CID 116869268

IUPAC1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2c(C)cc(C(C)(C)C)cc2C)COC1
InChIInChI=1S/C17H27NO/c1-12-7-14(16(3,4)5)8-13(2)15(12)17(9-18-6)10-19-11-17/h7-8,18H,9-11H2,1-6H3
InChIKeyNWLDCYJBEVOZTR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.09
Rot. Bonds3

About 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine

1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869268) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869268
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2c(C)cc(C(C)(C)C)cc2C)COC1
InChIInChI=1S/C17H27NO/c1-12-7-14(16(3,4)5)8-13(2)15(12)17(9-18-6)10-19-11-17/h7-8,18H,9-11H2,1-6H3
InChIKeyNWLDCYJBEVOZTR-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine 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 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine (CID 116869268) is 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2c(C)cc(C(C)(C)C)cc2C)COC1.
What is the InChIKey of 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is NWLDCYJBEVOZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-7-14(16(3,4)5)8-13(2)15(12)17(9-18-6)10-19-11-17/h7-8,18H,9-11H2,1-6H3.
What are the key properties of 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).