4-chloro-N-(2-ethoxyprop-2-enyl)aniline

C11H14ClNO — CID 142042359

IUPAC4-chloro-N-(2-ethoxyprop-2-enyl)aniline
SMILESC=C(CNc1ccc(Cl)cc1)OCC
InChIInChI=1S/C11H14ClNO/c1-3-14-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyNAONCLWNRHAENR-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-N-(2-ethoxyprop-2-enyl)aniline

4-chloro-N-(2-ethoxyprop-2-enyl)aniline (PubChem CID 142042359) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyprop-2-enyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyprop-2-enyl)aniline
PubChem CID142042359
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-N-(2-ethoxyprop-2-enyl)aniline
SMILESC=C(CNc1ccc(Cl)cc1)OCC
InChIInChI=1S/C11H14ClNO/c1-3-14-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyNAONCLWNRHAENR-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyprop-2-enyl)aniline?
The IUPAC name of 4-chloro-N-(2-ethoxyprop-2-enyl)aniline (CID 142042359) is 4-chloro-N-(2-ethoxyprop-2-enyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-ethoxyprop-2-enyl)aniline?
The canonical SMILES for 4-chloro-N-(2-ethoxyprop-2-enyl)aniline is C=C(CNc1ccc(Cl)cc1)OCC.
What is the InChIKey of 4-chloro-N-(2-ethoxyprop-2-enyl)aniline?
The InChIKey is NAONCLWNRHAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-14-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,13H,2-3,8H2,1H3.
What are the key properties of 4-chloro-N-(2-ethoxyprop-2-enyl)aniline?
4-chloro-N-(2-ethoxyprop-2-enyl)aniline has a molecular weight of 211.69 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyprop-2-enyl)aniline is sourced from PubChem (CID 142042359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).