1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine

C16H25NO2 — CID 116772559

IUPAC1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
SMILESCNC(CC1CCOCC1)C(OC)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-17-15(12-13-8-10-19-11-9-13)16(18-2)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyYLPQIQXHGLDKGI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds6

About 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine

1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine (PubChem CID 116772559) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
PubChem CID116772559
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
SMILESCNC(CC1CCOCC1)C(OC)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-17-15(12-13-8-10-19-11-9-13)16(18-2)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyYLPQIQXHGLDKGI-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine
CID 79617524
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
CID 116756910
3-(furan-3-yl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772578
1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
CID 115846790
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772583
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
(3-cyclopropyl-1-ethoxy-1-phenylpropan-2-yl)hydrazine
CID 105279201
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine (CID 116772559) is 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine is CNC(CC1CCOCC1)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine?
The InChIKey is YLPQIQXHGLDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-15(12-13-8-10-19-11-9-13)16(18-2)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine?
1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 116772559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).