N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine

C16H25NO2 — CID 79367501

IUPACN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccc(COC)cc1
InChIInChI=1S/C16H25NO2/c1-3-9-17-11-15-8-10-19-16(15)14-6-4-13(5-7-14)12-18-2/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeyWAGMDTUUCLTXBP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds7

About N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine

N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79367501) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID79367501
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccc(COC)cc1
InChIInChI=1S/C16H25NO2/c1-3-9-17-11-15-8-10-19-16(15)14-6-4-13(5-7-14)12-18-2/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeyWAGMDTUUCLTXBP-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
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 N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine (CID 79367501) is N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1ccc(COC)cc1.
What is the InChIKey of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is WAGMDTUUCLTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-17-11-15-8-10-19-16(15)14-6-4-13(5-7-14)12-18-2/h4-7,15-17H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79367501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).