2-(1-methoxypropan-2-yloxy)-3-methylaniline

C11H17NO2 — CID 115550968

IUPAC2-(1-methoxypropan-2-yloxy)-3-methylaniline
SMILESCOCC(C)Oc1c(C)cccc1N
InChIInChI=1S/C11H17NO2/c1-8-5-4-6-10(12)11(8)14-9(2)7-13-3/h4-6,9H,7,12H2,1-3H3
InChIKeySFJUFMNALFBVRH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.99
Rot. Bonds4

About 2-(1-methoxypropan-2-yloxy)-3-methylaniline

2-(1-methoxypropan-2-yloxy)-3-methylaniline (PubChem CID 115550968) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-3-methylaniline.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-3-methylaniline
PubChem CID115550968
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(1-methoxypropan-2-yloxy)-3-methylaniline
SMILESCOCC(C)Oc1c(C)cccc1N
InChIInChI=1S/C11H17NO2/c1-8-5-4-6-10(12)11(8)14-9(2)7-13-3/h4-6,9H,7,12H2,1-3H3
InChIKeySFJUFMNALFBVRH-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(4-methylpentan-2-yloxy)aniline
CID 115550876
2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
CID 112610920
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
3-methyl-2-(1-phenylethoxy)aniline
CID 115550879
3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
CID 103486425
3-amino-2-(4-methoxybutan-2-yloxy)benzoic acid
CID 107077232
4-bromo-2-(1-methoxypropan-2-yloxy)aniline
CID 65342707
N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164623376
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylaniline?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylaniline (CID 115550968) is 2-(1-methoxypropan-2-yloxy)-3-methylaniline.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-3-methylaniline?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-3-methylaniline is COCC(C)Oc1c(C)cccc1N.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-3-methylaniline?
The InChIKey is SFJUFMNALFBVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-5-4-6-10(12)11(8)14-9(2)7-13-3/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-yloxy)-3-methylaniline?
2-(1-methoxypropan-2-yloxy)-3-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-3-methylaniline is sourced from PubChem (CID 115550968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).