2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine

C15H23NO — CID 116869514

IUPAC2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc(C2(C(C)(C)N)COC2)c(C)c1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3
InChIKeyDFZWMEJTZXYTMU-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.62
Rot. Bonds2

About 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine

2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine (PubChem CID 116869514) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
PubChem CID116869514
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc(C2(C(C)(C)N)COC2)c(C)c1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3
InChIKeyDFZWMEJTZXYTMU-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine (CID 116869514) is 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine is Cc1ccc(C2(C(C)(C)N)COC2)c(C)c1C.
What is the InChIKey of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
The InChIKey is DFZWMEJTZXYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-7-13(12(3)11(10)2)15(8-17-9-15)14(4,5)16/h6-7H,8-9,16H2,1-5H3.
What are the key properties of 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine?
2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).