2,5-dibromo-N-decylaniline

C16H25Br2N — CID 63492917

IUPAC2,5-dibromo-N-decylaniline
SMILESCCCCCCCCCCNc1cc(Br)ccc1Br
InChIInChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-12-19-16-13-14(17)10-11-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyYSTQDPTUIQCXSH-UHFFFAOYSA-N
MW391.19 g/mol
LogP6.76
Rot. Bonds10

About 2,5-dibromo-N-decylaniline

2,5-dibromo-N-decylaniline (PubChem CID 63492917) has the molecular formula C16H25Br2N and a molecular weight of 391.19 g/mol. Its IUPAC name is 2,5-dibromo-N-decylaniline.

Molecular Properties

Compound Name2,5-dibromo-N-decylaniline
PubChem CID63492917
Molecular FormulaC16H25Br2N
Molecular Weight391.19 g/mol
Exact Mass389.04
IUPAC Name2,5-dibromo-N-decylaniline
SMILESCCCCCCCCCCNc1cc(Br)ccc1Br
InChIInChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-12-19-16-13-14(17)10-11-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyYSTQDPTUIQCXSH-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'}

Analyze 2,5-dibromo-N-decylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-bromo-2-ethyl-N-heptylaniline
CID 81292359
2,5-dibromo-N-(3-methylsulfanylpropyl)aniline
CID 43736602
5-bromo-N-pentyl-2-phenylaniline
CID 156564317
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
4-bromo-2,3-dichloro-N-octylaniline
CID 107787758
2-(2,5-dibromoanilino)ethanol
CID 61467228
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
5-(2,5-dibromoanilino)-2,2-dimethylpentanenitrile
CID 65253982
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-decylaniline?
The IUPAC name of 2,5-dibromo-N-decylaniline (CID 63492917) is 2,5-dibromo-N-decylaniline.
What is the SMILES notation for 2,5-dibromo-N-decylaniline?
The canonical SMILES for 2,5-dibromo-N-decylaniline is CCCCCCCCCCNc1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-decylaniline?
The InChIKey is YSTQDPTUIQCXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2N/c1-2-3-4-5-6-7-8-9-12-19-16-13-14(17)10-11-15(16)18/h10-11,13,19H,2-9,12H2,1H3.
What are the key properties of 2,5-dibromo-N-decylaniline?
2,5-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 2,5-dibromo-N-decylaniline is sourced from PubChem (CID 63492917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).