2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol

C13H21NO2 — CID 39246107

IUPAC2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
SMILESCC(C)Oc1ccccc1NCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(2)16-12-8-6-5-7-11(12)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyWZDFSDQLXXBLJU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds5

About 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol

2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol (PubChem CID 39246107) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
PubChem CID39246107
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
SMILESCC(C)Oc1ccccc1NCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(2)16-12-8-6-5-7-11(12)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyWZDFSDQLXXBLJU-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 39245563
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
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2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
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CID 108955532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol (CID 39246107) is 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol is CC(C)Oc1ccccc1NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol?
The InChIKey is WZDFSDQLXXBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)16-12-8-6-5-7-11(12)14-9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol?
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol is sourced from PubChem (CID 39246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).