2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C14H19BrClNO — CID 79339677

IUPAC2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cc(Cl)ccc1Br)CNCCOC
InChIInChI=1S/C14H19BrClNO/c1-3-11(10-17-6-7-18-2)8-12-9-13(16)4-5-14(12)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3
InChIKeyYEXCDBXQWPQRHO-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.13
Rot. Bonds7

About 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79339677) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID79339677
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cc(Cl)ccc1Br)CNCCOC
InChIInChI=1S/C14H19BrClNO/c1-3-11(10-17-6-7-18-2)8-12-9-13(16)4-5-14(12)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3
InChIKeyYEXCDBXQWPQRHO-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 79339677) is 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1cc(Cl)ccc1Br)CNCCOC.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is YEXCDBXQWPQRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-3-11(10-17-6-7-18-2)8-12-9-13(16)4-5-14(12)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 332.67 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).