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

C13H21NO2 — CID 107506612

IUPAC1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
SMILESCOCC(N)COc1ccccc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(14)8-15-3/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyVZKBGOHPAKVEED-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds6

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

1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine (PubChem CID 107506612) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
PubChem CID107506612
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
SMILESCOCC(N)COc1ccccc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(14)8-15-3/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyVZKBGOHPAKVEED-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353725
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
2-N,2-N-dimethyl-3-(2-propan-2-ylphenoxy)propane-1,2-diamine
CID 112500951
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-octoxy-2-propan-2-ylbenzene
CID 64765685
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine?
The IUPAC name of 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine (CID 107506612) is 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine is COCC(N)COc1ccccc1C(C)C.
What is the InChIKey of 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine?
The InChIKey is VZKBGOHPAKVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(14)8-15-3/h4-7,10-11H,8-9,14H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine?
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.16, 6 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)propan-2-amine is sourced from PubChem (CID 107506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).