3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline

C11H14ClNO — CID 106436595

IUPAC3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
SMILESC/C(=C/Cl)COc1cc(N)ccc1C
InChIInChI=1S/C11H14ClNO/c1-8(6-12)7-14-11-5-10(13)4-3-9(11)2/h3-6H,7,13H2,1-2H3/b8-6-
InChIKeyISRGGCTXPOYXHZ-VURMDHGXSA-N
MW211.69 g/mol
LogP3.10
Rot. Bonds3

About 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline

3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline (PubChem CID 106436595) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
PubChem CID106436595
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
SMILESC/C(=C/Cl)COc1cc(N)ccc1C
InChIInChI=1S/C11H14ClNO/c1-8(6-12)7-14-11-5-10(13)4-3-9(11)2/h3-6H,7,13H2,1-2H3/b8-6-
InChIKeyISRGGCTXPOYXHZ-VURMDHGXSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.10
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

4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437114
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
3-(methoxymethoxy)-4-methylaniline
CID 65365143
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
3-(ethoxymethoxy)-4-methylaniline
CID 65364310

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline?
The IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline (CID 106436595) is 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline.
What is the SMILES notation for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline?
The canonical SMILES for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline is C/C(=C/Cl)COc1cc(N)ccc1C.
What is the InChIKey of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline?
The InChIKey is ISRGGCTXPOYXHZ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(6-12)7-14-11-5-10(13)4-3-9(11)2/h3-6H,7,13H2,1-2H3/b8-6-.
What are the key properties of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline?
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline has a molecular weight of 211.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline is sourced from PubChem (CID 106436595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).