2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline

C12H17NO — CID 60679323

IUPAC2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1cc(C)ccc1OC
InChIInChI=1S/C12H17NO/c1-9(2)8-13-11-7-10(3)5-6-12(11)14-4/h5-7,13H,1,8H2,2-4H3
InChIKeyZXKRMFDVDMKABE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.99
Rot. Bonds4

About 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline

2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline (PubChem CID 60679323) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
PubChem CID60679323
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1cc(C)ccc1OC
InChIInChI=1S/C12H17NO/c1-9(2)8-13-11-7-10(3)5-6-12(11)14-4/h5-7,13H,1,8H2,2-4H3
InChIKeyZXKRMFDVDMKABE-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
N-[(E)-4-chlorobut-2-enyl]-2-methoxy-5-methylaniline
CID 81429521
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxy-5-methylanilino)ethanone
CID 110654294
N-ethyl-2-(2-methoxy-5-methylanilino)-N-(3-methylphenyl)acetamide
CID 109009248

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline (CID 60679323) is 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline is C=C(C)CNc1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline?
The InChIKey is ZXKRMFDVDMKABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-13-11-7-10(3)5-6-12(11)14-4/h5-7,13H,1,8H2,2-4H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline?
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline has a molecular weight of 191.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 60679323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).