2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine

C15H23NO3 — CID 117417571

IUPAC2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1ccc(C(C)CN)cc1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-11(9-16)12-5-6-14(17-2)15(8-12)19-13-4-3-7-18-10-13/h5-6,8,11,13H,3-4,7,9-10,16H2,1-2H3
InChIKeyXBFNGFXVCKRQCK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine

2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine (PubChem CID 117417571) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
PubChem CID117417571
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1ccc(C(C)CN)cc1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-11(9-16)12-5-6-14(17-2)15(8-12)19-13-4-3-7-18-10-13/h5-6,8,11,13H,3-4,7,9-10,16H2,1-2H3
InChIKeyXBFNGFXVCKRQCK-UHFFFAOYSA-N
XLogP2.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine (CID 117417571) is 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine is COc1ccc(C(C)CN)cc1OC1CCCOC1.
What is the InChIKey of 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is XBFNGFXVCKRQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(9-16)12-5-6-14(17-2)15(8-12)19-13-4-3-7-18-10-13/h5-6,8,11,13H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 117417571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).