2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol

C13H21NO2 — CID 64804789

IUPAC2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
SMILESCNC(CO)COc1ccccc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(8-15)14-3/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUUYKVYVBRYVCJZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds6

About 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol

2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol (PubChem CID 64804789) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
PubChem CID64804789
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
SMILESCNC(CO)COc1ccccc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(8-15)14-3/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUUYKVYVBRYVCJZ-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
1-cyclopropyl-N-methyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 63915324
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
2-(methylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64803231
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
2-N,2-N-dimethyl-3-(2-propan-2-ylphenoxy)propane-1,2-diamine
CID 112500951
3-methyl-4-(2-propan-2-ylphenoxy)butanoic acid
CID 112508341
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
CID 94686635
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol (CID 64804789) is 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol is CNC(CO)COc1ccccc1C(C)C.
What is the InChIKey of 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is UUYKVYVBRYVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)12-6-4-5-7-13(12)16-9-11(8-15)14-3/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol?
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 64804789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).