N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine

C16H25NO2 — CID 116870615

IUPACN-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
SMILESCOc1c(C)cc(C2(CNC(C)C)COC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11(2)17-8-16(9-19-10-16)14-6-12(3)15(18-5)13(4)7-14/h6-7,11,17H,8-10H2,1-5H3
InChIKeyBKPQGOTYFCPEML-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds5

About N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine

N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine (PubChem CID 116870615) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
PubChem CID116870615
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
SMILESCOc1c(C)cc(C2(CNC(C)C)COC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11(2)17-8-16(9-19-10-16)14-6-12(3)15(18-5)13(4)7-14/h6-7,11,17H,8-10H2,1-5H3
InChIKeyBKPQGOTYFCPEML-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine (CID 116870615) is N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine is COc1c(C)cc(C2(CNC(C)C)COC2)cc1C.
What is the InChIKey of N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine?
The InChIKey is BKPQGOTYFCPEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)17-8-16(9-19-10-16)14-6-12(3)15(18-5)13(4)7-14/h6-7,11,17H,8-10H2,1-5H3.
What are the key properties of N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine?
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 116870615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).