2-bromo-4-chloro-N-decylaniline

C16H25BrClN — CID 81271334

IUPAC2-bromo-4-chloro-N-decylaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1Br
InChIInChI=1S/C16H25BrClN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)13-15(16)17/h10-11,13,19H,2-9,12H2,1H3
InChIKeyGLMUWOWVWMOPJV-UHFFFAOYSA-N
MW346.74 g/mol
LogP6.66
Rot. Bonds10

About 2-bromo-4-chloro-N-decylaniline

2-bromo-4-chloro-N-decylaniline (PubChem CID 81271334) has the molecular formula C16H25BrClN and a molecular weight of 346.74 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-decylaniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-decylaniline
PubChem CID81271334
Molecular FormulaC16H25BrClN
Molecular Weight346.74 g/mol
Exact Mass345.09
IUPAC Name2-bromo-4-chloro-N-decylaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1Br
InChIInChI=1S/C16H25BrClN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)13-15(16)17/h10-11,13,19H,2-9,12H2,1H3
InChIKeyGLMUWOWVWMOPJV-UHFFFAOYSA-N
XLogP6.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-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-bromo-4-chloro-N-octylaniline
CID 81263323
2,4-dichloro-N-decylaniline
CID 63489638
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
4-chloro-N-decyl-2-iodoaniline
CID 107635321
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
4-bromo-2,3-dichloro-N-octylaniline
CID 107787758
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
4-chloro-2-(decylamino)benzonitrile
CID 64919418
N-butyl-4-chloro-2-iodoaniline
CID 107632190
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
2,5-dibromo-N-decylaniline
CID 63492917

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-decylaniline?
The IUPAC name of 2-bromo-4-chloro-N-decylaniline (CID 81271334) is 2-bromo-4-chloro-N-decylaniline.
What is the SMILES notation for 2-bromo-4-chloro-N-decylaniline?
The canonical SMILES for 2-bromo-4-chloro-N-decylaniline is CCCCCCCCCCNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-decylaniline?
The InChIKey is GLMUWOWVWMOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(18)13-15(16)17/h10-11,13,19H,2-9,12H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-decylaniline?
2-bromo-4-chloro-N-decylaniline has a molecular weight of 346.74 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-decylaniline is sourced from PubChem (CID 81271334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).