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

C12H15BrClN — CID 79329873

IUPAC2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cc(Cl)ccc1Br)CNC
InChIInChI=1S/C12H15BrClN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-7,15H,3,8H2,1-2H3
InChIKeyZBAMLIYFKFEUAS-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.12
Rot. Bonds4

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

2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine (PubChem CID 79329873) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine
PubChem CID79329873
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cc(Cl)ccc1Br)CNC
InChIInChI=1S/C12H15BrClN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-7,15H,3,8H2,1-2H3
InChIKeyZBAMLIYFKFEUAS-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
2-[(4-bromo-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329977
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
ethyl (E)-3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 139488565
methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 169479768
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
N-[4-(2-bromo-5-chlorophenyl)but-3-enyl]acetamide
CID 170489725
S-[4-(2-bromo-5-chlorophenyl)but-3-enyl] ethanethioate
CID 170481167
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine (CID 79329873) is 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1cc(Cl)ccc1Br)CNC.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine?
The InChIKey is ZBAMLIYFKFEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine?
2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine has a molecular weight of 288.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 79329873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).