2-methyl-6-(3-methylbut-2-enoxy)aniline

C12H17NO — CID 107899463

IUPAC2-methyl-6-(3-methylbut-2-enoxy)aniline
SMILESCC(C)=CCOc1cccc(C)c1N
InChIInChI=1S/C12H17NO/c1-9(2)7-8-14-11-6-4-5-10(3)12(11)13/h4-7H,8,13H2,1-3H3
InChIKeyKDJJIJZVBVRUKG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.92
Rot. Bonds3

About 2-methyl-6-(3-methylbut-2-enoxy)aniline

2-methyl-6-(3-methylbut-2-enoxy)aniline (PubChem CID 107899463) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbut-2-enoxy)aniline.

Molecular Properties

Compound Name2-methyl-6-(3-methylbut-2-enoxy)aniline
PubChem CID107899463
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-6-(3-methylbut-2-enoxy)aniline
SMILESCC(C)=CCOc1cccc(C)c1N
InChIInChI=1S/C12H17NO/c1-9(2)7-8-14-11-6-4-5-10(3)12(11)13/h4-7H,8,13H2,1-3H3
InChIKeyKDJJIJZVBVRUKG-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
(2-amino-3-methylphenyl) formate
CID 163024542
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbut-2-enoxy)aniline?
The IUPAC name of 2-methyl-6-(3-methylbut-2-enoxy)aniline (CID 107899463) is 2-methyl-6-(3-methylbut-2-enoxy)aniline.
What is the SMILES notation for 2-methyl-6-(3-methylbut-2-enoxy)aniline?
The canonical SMILES for 2-methyl-6-(3-methylbut-2-enoxy)aniline is CC(C)=CCOc1cccc(C)c1N.
What is the InChIKey of 2-methyl-6-(3-methylbut-2-enoxy)aniline?
The InChIKey is KDJJIJZVBVRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)7-8-14-11-6-4-5-10(3)12(11)13/h4-7H,8,13H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylbut-2-enoxy)aniline?
2-methyl-6-(3-methylbut-2-enoxy)aniline has a molecular weight of 191.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbut-2-enoxy)aniline is sourced from PubChem (CID 107899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).