1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine

C15H23NO3 — CID 117417898

IUPAC1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
SMILESCOc1c(CC(C)(C)N)cccc1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-15(2,16)9-11-5-4-6-13(14(11)17-3)19-12-7-8-18-10-12/h4-6,12H,7-10,16H2,1-3H3
InChIKeyLCLKHJWTJNBLRD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine

1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine (PubChem CID 117417898) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
PubChem CID117417898
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
SMILESCOc1c(CC(C)(C)N)cccc1OC1CCOC1
InChIInChI=1S/C15H23NO3/c1-15(2,16)9-11-5-4-6-13(14(11)17-3)19-12-7-8-18-10-12/h4-6,12H,7-10,16H2,1-3H3
InChIKeyLCLKHJWTJNBLRD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
CID 117446650
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
CID 117415762

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine (CID 117417898) is 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine is COc1c(CC(C)(C)N)cccc1OC1CCOC1.
What is the InChIKey of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The InChIKey is LCLKHJWTJNBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,16)9-11-5-4-6-13(14(11)17-3)19-12-7-8-18-10-12/h4-6,12H,7-10,16H2,1-3H3.
What are the key properties of 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117417898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).