2,6-dibromo-N-decylaniline

C16H25Br2N — CID 107599083

IUPAC2,6-dibromo-N-decylaniline
SMILESCCCCCCCCCCNc1c(Br)cccc1Br
InChIInChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-13-19-16-14(17)11-10-12-15(16)18/h10-12,19H,2-9,13H2,1H3
InChIKeyUWCKMXOHWDXYTK-UHFFFAOYSA-N
MW391.19 g/mol
LogP6.76
Rot. Bonds10

About 2,6-dibromo-N-decylaniline

2,6-dibromo-N-decylaniline (PubChem CID 107599083) has the molecular formula C16H25Br2N and a molecular weight of 391.19 g/mol. Its IUPAC name is 2,6-dibromo-N-decylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-decylaniline
PubChem CID107599083
Molecular FormulaC16H25Br2N
Molecular Weight391.19 g/mol
Exact Mass389.04
IUPAC Name2,6-dibromo-N-decylaniline
SMILESCCCCCCCCCCNc1c(Br)cccc1Br
InChIInChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-13-19-16-14(17)11-10-12-15(16)18/h10-12,19H,2-9,13H2,1H3
InChIKeyUWCKMXOHWDXYTK-UHFFFAOYSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.19
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethyl-N-octylaniline
CID 63491055
2,6-dibromo-N-(3-ethylsulfanylpropyl)aniline
CID 107597741
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
6-(2,6-dibromoanilino)hexanoic acid
CID 107599094
2,3-bis(octylamino)phenol
CID 67224440
3-bromo-N-octylaniline
CID 43129310
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
2,6-dibromo-N-(2-propylsulfonylethyl)aniline
CID 107599018
2,3-dibromo-N-octylbenzenesulfonamide
CID 19782260
2,3-dibromo-N-decylbenzenesulfonamide
CID 19782290

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-decylaniline?
The IUPAC name of 2,6-dibromo-N-decylaniline (CID 107599083) is 2,6-dibromo-N-decylaniline.
What is the SMILES notation for 2,6-dibromo-N-decylaniline?
The canonical SMILES for 2,6-dibromo-N-decylaniline is CCCCCCCCCCNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-decylaniline?
The InChIKey is UWCKMXOHWDXYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-13-19-16-14(17)11-10-12-15(16)18/h10-12,19H,2-9,13H2,1H3.
What are the key properties of 2,6-dibromo-N-decylaniline?
2,6-dibromo-N-decylaniline has a molecular weight of 391.19 g/mol, XLogP of 6.76, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-decylaniline is sourced from PubChem (CID 107599083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).