N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine

C15H23NO — CID 116870511

IUPACN-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)c(C)cc2C)COC1
InChIInChI=1S/C15H23NO/c1-5-16-8-15(9-17-10-15)14-7-12(3)11(2)6-13(14)4/h6-7,16H,5,8-10H2,1-4H3
InChIKeyPWVDMNBNTQKNLR-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.49
Rot. Bonds4

About N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine

N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine (PubChem CID 116870511) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
PubChem CID116870511
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)c(C)cc2C)COC1
InChIInChI=1S/C15H23NO/c1-5-16-8-15(9-17-10-15)14-7-12(3)11(2)6-13(14)4/h6-7,16H,5,8-10H2,1-4H3
InChIKeyPWVDMNBNTQKNLR-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine (CID 116870511) is N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine is CCNCC1(c2cc(C)c(C)cc2C)COC1.
What is the InChIKey of N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine?
The InChIKey is PWVDMNBNTQKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-8-15(9-17-10-15)14-7-12(3)11(2)6-13(14)4/h6-7,16H,5,8-10H2,1-4H3.
What are the key properties of N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine?
N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine is sourced from PubChem (CID 116870511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).