2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline

C16H15Cl2NO — CID 65467216

IUPAC2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-2-10-20-15-9-4-3-6-12(15)11-19-16-13(17)7-5-8-14(16)18/h2-9,19H,1,10-11H2
InChIKeyCZVRSXFGYSYFPQ-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.17
Rot. Bonds6

About 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline

2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 65467216) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
PubChem CID65467216
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-2-10-20-15-9-4-3-6-12(15)11-19-16-13(17)7-5-8-14(16)18/h2-9,19H,1,10-11H2
InChIKeyCZVRSXFGYSYFPQ-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-chloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 103477909
2-bromo-6-chloro-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107610536
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
2-iodo-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43773432
2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43765631
2-bromo-5-chloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 81263289
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline (CID 65467216) is 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccccc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is CZVRSXFGYSYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-10-20-15-9-4-3-6-12(15)11-19-16-13(17)7-5-8-14(16)18/h2-9,19H,1,10-11H2.
What are the key properties of 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 308.21 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 65467216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).