2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline

C14H19Cl2NO — CID 90345779

IUPAC2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline
SMILESC=C(Nc1c(Cl)cc(Cl)cc1C(C)C)OC(C)C
InChIInChI=1S/C14H19Cl2NO/c1-8(2)12-6-11(15)7-13(16)14(12)17-10(5)18-9(3)4/h6-9,17H,5H2,1-4H3
InChIKeyPHKQRBJSRPIWQL-UHFFFAOYSA-N
MW288.22 g/mol
LogP5.42
Rot. Bonds5

About 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline

2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline (PubChem CID 90345779) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline
PubChem CID90345779
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline
SMILESC=C(Nc1c(Cl)cc(Cl)cc1C(C)C)OC(C)C
InChIInChI=1S/C14H19Cl2NO/c1-8(2)12-6-11(15)7-13(16)14(12)17-10(5)18-9(3)4/h6-9,17H,5H2,1-4H3
InChIKeyPHKQRBJSRPIWQL-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.22
LogP ≤ 55.42
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 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline?
The IUPAC name of 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline (CID 90345779) is 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline.
What is the SMILES notation for 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline?
The canonical SMILES for 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline is C=C(Nc1c(Cl)cc(Cl)cc1C(C)C)OC(C)C.
What is the InChIKey of 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline?
The InChIKey is PHKQRBJSRPIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-8(2)12-6-11(15)7-13(16)14(12)17-10(5)18-9(3)4/h6-9,17H,5H2,1-4H3.
What are the key properties of 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline?
2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline has a molecular weight of 288.22 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-propan-2-yl-N-(1-propan-2-yloxyethenyl)aniline is sourced from PubChem (CID 90345779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).