3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine

C16H25NO2 — CID 59946056

IUPAC3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine
SMILESCc1cc(C2CCC(OCCCN)O2)cc(C)c1C
InChIInChI=1S/C16H25NO2/c1-11-9-14(10-12(2)13(11)3)15-5-6-16(19-15)18-8-4-7-17/h9-10,15-16H,4-8,17H2,1-3H3
InChIKeyYIDVPSWLJQKCIE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds5

About 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine

3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine (PubChem CID 59946056) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine
PubChem CID59946056
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine
SMILESCc1cc(C2CCC(OCCCN)O2)cc(C)c1C
InChIInChI=1S/C16H25NO2/c1-11-9-14(10-12(2)13(11)3)15-5-6-16(19-15)18-8-4-7-17/h9-10,15-16H,4-8,17H2,1-3H3
InChIKeyYIDVPSWLJQKCIE-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine (CID 59946056) is 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine is Cc1cc(C2CCC(OCCCN)O2)cc(C)c1C.
What is the InChIKey of 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine?
The InChIKey is YIDVPSWLJQKCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-14(10-12(2)13(11)3)15-5-6-16(19-15)18-8-4-7-17/h9-10,15-16H,4-8,17H2,1-3H3.
What are the key properties of 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine?
3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4,5-trimethylphenyl)oxolan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 59946056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).