N-(5-bromopentyl)-2,4-dichloroaniline

C11H14BrCl2N — CID 10804944

IUPACN-(5-bromopentyl)-2,4-dichloroaniline
SMILESClc1ccc(NCCCCCBr)c(Cl)c1
InChIInChI=1S/C11H14BrCl2N/c12-6-2-1-3-7-15-11-5-4-9(13)8-10(11)14/h4-5,8,15H,1-3,6-7H2
InChIKeyNCOWEMPTMPEGCH-UHFFFAOYSA-N
MW311.05 g/mol
LogP4.97
Rot. Bonds6

About N-(5-bromopentyl)-2,4-dichloroaniline

N-(5-bromopentyl)-2,4-dichloroaniline (PubChem CID 10804944) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,4-dichloroaniline.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,4-dichloroaniline
PubChem CID10804944
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC NameN-(5-bromopentyl)-2,4-dichloroaniline
SMILESClc1ccc(NCCCCCBr)c(Cl)c1
InChIInChI=1S/C11H14BrCl2N/c12-6-2-1-3-7-15-11-5-4-9(13)8-10(11)14/h4-5,8,15H,1-3,6-7H2
InChIKeyNCOWEMPTMPEGCH-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.05
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-decylaniline
CID 63489638
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
2-(4-bromobutoxy)-N-(4-bromobutyl)-5-chloroaniline
CID 139649116
4-(2,4-dichloroanilino)butyl-hydroxy-oxophosphanium
CID 70152317
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
1-(2,4-dichlorophenyl)-2-methylhydrazine;ethane
CID 143596741
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,4-dichloroaniline?
The IUPAC name of N-(5-bromopentyl)-2,4-dichloroaniline (CID 10804944) is N-(5-bromopentyl)-2,4-dichloroaniline.
What is the SMILES notation for N-(5-bromopentyl)-2,4-dichloroaniline?
The canonical SMILES for N-(5-bromopentyl)-2,4-dichloroaniline is Clc1ccc(NCCCCCBr)c(Cl)c1.
What is the InChIKey of N-(5-bromopentyl)-2,4-dichloroaniline?
The InChIKey is NCOWEMPTMPEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2N/c12-6-2-1-3-7-15-11-5-4-9(13)8-10(11)14/h4-5,8,15H,1-3,6-7H2.
What are the key properties of N-(5-bromopentyl)-2,4-dichloroaniline?
N-(5-bromopentyl)-2,4-dichloroaniline has a molecular weight of 311.05 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,4-dichloroaniline is sourced from PubChem (CID 10804944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).