1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine

C16H27NO2 — CID 107506613

IUPAC1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
SMILESCCCNC(COC)COc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-5-10-17-14(11-18-4)12-19-16-9-7-6-8-15(16)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyZBDLNRKQIOSKGD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.20
Rot. Bonds9

About 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine

1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine (PubChem CID 107506613) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
PubChem CID107506613
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
SMILESCCCNC(COC)COc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-5-10-17-14(11-18-4)12-19-16-9-7-6-8-15(16)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyZBDLNRKQIOSKGD-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
CID 64804789
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine (CID 107506613) is 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine is CCCNC(COC)COc1ccccc1C(C)C.
What is the InChIKey of 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine?
The InChIKey is ZBDLNRKQIOSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-10-17-14(11-18-4)12-19-16-9-7-6-8-15(16)13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine?
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine is sourced from PubChem (CID 107506613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).