2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine

C15H23NO3 — CID 117417903

IUPAC2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
SMILESCOc1cccc(C(C)(C)N)c1OC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-15(2,16)12-5-4-6-13(17-3)14(12)19-11-7-9-18-10-8-11/h4-6,11H,7-10,16H2,1-3H3
InChIKeyKUTHTUWNTMTQLM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds4

About 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine

2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine (PubChem CID 117417903) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
PubChem CID117417903
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
SMILESCOc1cccc(C(C)(C)N)c1OC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-15(2,16)12-5-4-6-13(17-3)14(12)19-11-7-9-18-10-8-11/h4-6,11H,7-10,16H2,1-3H3
InChIKeyKUTHTUWNTMTQLM-UHFFFAOYSA-N
XLogP2.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine?
The IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine (CID 117417903) is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine is COc1cccc(C(C)(C)N)c1OC1CCOCC1.
What is the InChIKey of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine?
The InChIKey is KUTHTUWNTMTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,16)12-5-4-6-13(17-3)14(12)19-11-7-9-18-10-8-11/h4-6,11H,7-10,16H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine?
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 117417903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).