N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine

C12H19BrN2 — CID 115201768

IUPACN'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2/c1-14-9-3-4-10-15(2)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyQTLFTURUSXSFQA-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.88
Rot. Bonds6

About N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine

N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115201768) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID115201768
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2/c1-14-9-3-4-10-15(2)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyQTLFTURUSXSFQA-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 174469175
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine (CID 115201768) is N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is QTLFTURUSXSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-14-9-3-4-10-15(2)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115201768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).