4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine

C11H17BrN2 — CID 65341463

IUPAC4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
SMILESCCCCN(C)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyGVHHINKTZHBVMB-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.27
Rot. Bonds4

About 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine

4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine (PubChem CID 65341463) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
PubChem CID65341463
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
SMILESCCCCN(C)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyGVHHINKTZHBVMB-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
CID 25223449
4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849633
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
4-bromo-2-N-butyl-2-N-phenylbenzene-1,2-diamine
CID 65342200
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
CID 65343338
3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
CID 143837442
4-bromo-2-N-tert-butyl-2-N-methylbenzene-1,2-diamine
CID 130991719

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine (CID 65341463) is 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine is CCCCN(C)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine?
The InChIKey is GVHHINKTZHBVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine?
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 65341463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).