2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine

C15H21Br2NO — CID 79330453

IUPAC2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1cc(Br)cc(Br)c1OC)CC
InChIInChI=1S/C15H21Br2NO/c1-4-6-18-10-11(5-2)7-12-8-13(16)9-14(17)15(12)19-3/h7-9,18H,4-6,10H2,1-3H3
InChIKeyYWDHPSBJFDXKBS-UHFFFAOYSA-N
MW391.15 g/mol
LogP5.01
Rot. Bonds7

About 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine

2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine (PubChem CID 79330453) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
PubChem CID79330453
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1cc(Br)cc(Br)c1OC)CC
InChIInChI=1S/C15H21Br2NO/c1-4-6-18-10-11(5-2)7-12-8-13(16)9-14(17)15(12)19-3/h7-9,18H,4-6,10H2,1-3H3
InChIKeyYWDHPSBJFDXKBS-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.15
LogP ≤ 55.01
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

1,5-dibromo-3-[2-(chloromethyl)but-1-enyl]-2-methoxybenzene
CID 79334125
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-enal
CID 79331096
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
1,5-dibromo-3-[2-(bromomethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79322355
2-[(4-bromo-3-methylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329444

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine?
The IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine (CID 79330453) is 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine?
The canonical SMILES for 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine is CCCNCC(=Cc1cc(Br)cc(Br)c1OC)CC.
What is the InChIKey of 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine?
The InChIKey is YWDHPSBJFDXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-4-6-18-10-11(5-2)7-12-8-13(16)9-14(17)15(12)19-3/h7-9,18H,4-6,10H2,1-3H3.
What are the key properties of 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine?
2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine has a molecular weight of 391.15 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine is sourced from PubChem (CID 79330453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).