1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine

C15H24N2O2 — CID 117415762

IUPAC1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(C)(C)N)c1OC1CN(C)C1
InChIInChI=1S/C15H24N2O2/c1-15(2,16)8-11-6-5-7-13(18-4)14(11)19-12-9-17(3)10-12/h5-7,12H,8-10,16H2,1-4H3
InChIKeyAIOHGNAWXMNBCY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds5

About 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine

1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine (PubChem CID 117415762) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
PubChem CID117415762
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(C)(C)N)c1OC1CN(C)C1
InChIInChI=1S/C15H24N2O2/c1-15(2,16)8-11-6-5-7-13(18-4)14(11)19-12-9-17(3)10-12/h5-7,12H,8-10,16H2,1-4H3
InChIKeyAIOHGNAWXMNBCY-UHFFFAOYSA-N
XLogP1.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
CID 117443056
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
CID 117446650
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine (CID 117415762) is 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine is COc1cccc(CC(C)(C)N)c1OC1CN(C)C1.
What is the InChIKey of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine?
The InChIKey is AIOHGNAWXMNBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,16)8-11-6-5-7-13(18-4)14(11)19-12-9-17(3)10-12/h5-7,12H,8-10,16H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine?
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117415762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).