N-(4-bromohexyl)-N-methylaniline

C13H20BrN — CID 56992251

IUPACN-(4-bromohexyl)-N-methylaniline
SMILESCCC(Br)CCCN(C)c1ccccc1
InChIInChI=1S/C13H20BrN/c1-3-12(14)8-7-11-15(2)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3
InChIKeyLZEVWDBGHIRCNZ-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.08
Rot. Bonds6

About N-(4-bromohexyl)-N-methylaniline

N-(4-bromohexyl)-N-methylaniline (PubChem CID 56992251) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-(4-bromohexyl)-N-methylaniline.

Molecular Properties

Compound NameN-(4-bromohexyl)-N-methylaniline
PubChem CID56992251
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-(4-bromohexyl)-N-methylaniline
SMILESCCC(Br)CCCN(C)c1ccccc1
InChIInChI=1S/C13H20BrN/c1-3-12(14)8-7-11-15(2)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3
InChIKeyLZEVWDBGHIRCNZ-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-heptan-3-yl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63946266
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
4-bromohexylsulfanylbenzene
CID 79228576
N-methyl-N-(3-pyrrol-1-ylpropyl)aniline
CID 43510642
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N-dodecyl-N-methylaniline;pyridine
CID 22157792
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044

Frequently Asked Questions

What is the IUPAC name of N-(4-bromohexyl)-N-methylaniline?
The IUPAC name of N-(4-bromohexyl)-N-methylaniline (CID 56992251) is N-(4-bromohexyl)-N-methylaniline.
What is the SMILES notation for N-(4-bromohexyl)-N-methylaniline?
The canonical SMILES for N-(4-bromohexyl)-N-methylaniline is CCC(Br)CCCN(C)c1ccccc1.
What is the InChIKey of N-(4-bromohexyl)-N-methylaniline?
The InChIKey is LZEVWDBGHIRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-12(14)8-7-11-15(2)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3.
What are the key properties of N-(4-bromohexyl)-N-methylaniline?
N-(4-bromohexyl)-N-methylaniline has a molecular weight of 270.21 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromohexyl)-N-methylaniline is sourced from PubChem (CID 56992251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).