2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline

C11H14ClNO2 — CID 106436579

IUPAC2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
SMILESCOc1ccc(OC/C(C)=C/Cl)c(N)c1
InChIInChI=1S/C11H14ClNO2/c1-8(6-12)7-15-11-4-3-9(14-2)5-10(11)13/h3-6H,7,13H2,1-2H3/b8-6+
InChIKeyGWSPYTHDMYTYJF-SOFGYWHQSA-N
MW227.69 g/mol
LogP2.80
Rot. Bonds4

About 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline

2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline (PubChem CID 106436579) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
PubChem CID106436579
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
SMILESCOc1ccc(OC/C(C)=C/Cl)c(N)c1
InChIInChI=1S/C11H14ClNO2/c1-8(6-12)7-15-11-4-3-9(14-2)5-10(11)13/h3-6H,7,13H2,1-2H3/b8-6+
InChIKeyGWSPYTHDMYTYJF-SOFGYWHQSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.80
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

4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
CID 106436595
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methylpyridin-2-amine
CID 106436603
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
5-methoxy-2-nonoxyaniline
CID 43128995
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline?
The IUPAC name of 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline (CID 106436579) is 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline?
The canonical SMILES for 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline is COc1ccc(OC/C(C)=C/Cl)c(N)c1.
What is the InChIKey of 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline?
The InChIKey is GWSPYTHDMYTYJF-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(6-12)7-15-11-4-3-9(14-2)5-10(11)13/h3-6H,7,13H2,1-2H3/b8-6+.
What are the key properties of 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline?
2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline has a molecular weight of 227.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline is sourced from PubChem (CID 106436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).