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'}

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Related Compounds

2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79329873
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338857
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79330453
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 83094731
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
3-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2581979
N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine
CID 79338765

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).