3-methyl-2-(2-methylpropoxy)aniline

C11H17NO — CID 70699878

IUPAC3-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cccc(N)c1OCC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8H,7,12H2,1-3H3
InChIKeyMCJJKFPXMTVJBY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-2-(2-methylpropoxy)aniline

3-methyl-2-(2-methylpropoxy)aniline (PubChem CID 70699878) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropoxy)aniline
PubChem CID70699878
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cccc(N)c1OCC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8H,7,12H2,1-3H3
InChIKeyMCJJKFPXMTVJBY-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
3-amino-N-methyl-2-(2-methylpropoxy)benzamide
CID 154814953
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
2-(2-isocyanopropoxy)-1,3-dimethylbenzene
CID 71319489
3-methyl-2-(1-phenylethoxy)aniline
CID 115550879
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
CID 21028359
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 3-methyl-2-(2-methylpropoxy)aniline (CID 70699878) is 3-methyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 3-methyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 3-methyl-2-(2-methylpropoxy)aniline is Cc1cccc(N)c1OCC(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropoxy)aniline?
The InChIKey is MCJJKFPXMTVJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)7-13-11-9(3)5-4-6-10(11)12/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylpropoxy)aniline?
3-methyl-2-(2-methylpropoxy)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 70699878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).