1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine

C16H27NO2 — CID 107506569

IUPAC1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
SMILESCCC(C)(C)c1ccc(OCC(COC)NC)cc1
InChIInChI=1S/C16H27NO2/c1-6-16(2,3)13-7-9-15(10-8-13)19-12-14(17-4)11-18-5/h7-10,14,17H,6,11-12H2,1-5H3
InChIKeyRVNIYMNWTRERKO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.99
Rot. Bonds8

About 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine

1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine (PubChem CID 107506569) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
PubChem CID107506569
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
SMILESCCC(C)(C)c1ccc(OCC(COC)NC)cc1
InChIInChI=1S/C16H27NO2/c1-6-16(2,3)13-7-9-15(10-8-13)19-12-14(17-4)11-18-5/h7-10,14,17H,6,11-12H2,1-5H3
InChIKeyRVNIYMNWTRERKO-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
1-[4-(2-methoxyethyl)phenoxy]-N-methylpentan-2-amine
CID 62044092
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine (CID 107506569) is 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine is CCC(C)(C)c1ccc(OCC(COC)NC)cc1.
What is the InChIKey of 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The InChIKey is RVNIYMNWTRERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(2,3)13-7-9-15(10-8-13)19-12-14(17-4)11-18-5/h7-10,14,17H,6,11-12H2,1-5H3.
What are the key properties of 1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.99, 8 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-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine is sourced from PubChem (CID 107506569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).