2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline

C17H13Br2N — CID 56689216

IUPAC2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
SMILESCNc1c(Br)cc(/C=C2/C=Cc3ccccc32)cc1Br
InChIInChI=1S/C17H13Br2N/c1-20-17-15(18)9-11(10-16(17)19)8-13-7-6-12-4-2-3-5-14(12)13/h2-10,20H,1H3/b13-8-
InChIKeyKPNSXKFHLWKXNV-JYRVWZFOSA-N
MW391.11 g/mol
LogP5.82
Rot. Bonds2

About 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline

2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline (PubChem CID 56689216) has the molecular formula C17H13Br2N and a molecular weight of 391.11 g/mol. Its IUPAC name is 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
PubChem CID56689216
Molecular FormulaC17H13Br2N
Molecular Weight391.11 g/mol
Exact Mass388.94
IUPAC Name2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
SMILESCNc1c(Br)cc(/C=C2/C=Cc3ccccc32)cc1Br
InChIInChI=1S/C17H13Br2N/c1-20-17-15(18)9-11(10-16(17)19)8-13-7-6-12-4-2-3-5-14(12)13/h2-10,20H,1H3/b13-8-
InChIKeyKPNSXKFHLWKXNV-JYRVWZFOSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
CID 6284937
2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
CID 5381820
bis([4-[(E)-inden-1-ylidenemethyl]phenyl]azanide);platinum(4+);dichloride
CID 171376001
[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
CID 6444348
4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 53315161
(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
CID 54607021
N-[4-[(Z)-inden-1-ylidenemethyl]phenyl]-N-methylacetamide
CID 6436786
N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
CID 21139902
(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
(1Z)-1-[(2-methoxyphenyl)methylidene]indene
CID 92533355
4-[(E)-inden-1-ylidenemethyl]-N-methyl-N-(2-methylpropyl)aniline
CID 53315550
2-[4-[(E)-inden-1-ylidenemethyl]-N-methylanilino]acetate
CID 53315749

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline?
The IUPAC name of 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline (CID 56689216) is 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline.
What is the SMILES notation for 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline?
The canonical SMILES for 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline is CNc1c(Br)cc(/C=C2/C=Cc3ccccc32)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline?
The InChIKey is KPNSXKFHLWKXNV-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H13Br2N/c1-20-17-15(18)9-11(10-16(17)19)8-13-7-6-12-4-2-3-5-14(12)13/h2-10,20H,1H3/b13-8-.
What are the key properties of 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline?
2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline has a molecular weight of 391.11 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline is sourced from PubChem (CID 56689216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).