[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine

C15H23NO3 — CID 65158689

IUPAC[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-17-14-8-2-5-12(11-16)15(14)19-10-4-7-13-6-3-9-18-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3
InChIKeyKYDRFKCSJGJJGE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds7

About [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine

[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine (PubChem CID 65158689) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
PubChem CID65158689
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-17-14-8-2-5-12(11-16)15(14)19-10-4-7-13-6-3-9-18-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3
InChIKeyKYDRFKCSJGJJGE-UHFFFAOYSA-N
XLogP2.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 107694623
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[3-[2-(bromomethyl)-6-methylphenoxy]propyl]oxolane
CID 112614116
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine (CID 65158689) is [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine is COc1cccc(CN)c1OCCCC1CCCO1.
What is the InChIKey of [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The InChIKey is KYDRFKCSJGJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-8-2-5-12(11-16)15(14)19-10-4-7-13-6-3-9-18-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3.
What are the key properties of [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 65158689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).