N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine

C16H25NO — CID 79368626

IUPACN-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccccc1CC
InChIInChI=1S/C16H25NO/c1-3-10-17-12-14-9-11-18-16(14)15-8-6-5-7-13(15)4-2/h5-8,14,16-17H,3-4,9-12H2,1-2H3
InChIKeyJFEUQUNVVOJRLJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds6

About N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79368626) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID79368626
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccccc1CC
InChIInChI=1S/C16H25NO/c1-3-10-17-12-14-9-11-18-16(14)15-8-6-5-7-13(15)4-2/h5-8,14,16-17H,3-4,9-12H2,1-2H3
InChIKeyJFEUQUNVVOJRLJ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine (CID 79368626) is N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1ccccc1CC.
What is the InChIKey of N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is JFEUQUNVVOJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-17-12-14-9-11-18-16(14)15-8-6-5-7-13(15)4-2/h5-8,14,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79368626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).