4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine

C11H18BrN3 — CID 65343096

IUPAC4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
SMILESCN(C)CCCNc1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyHUEWPFCJEZXWGK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.39
Rot. Bonds5

About 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine

4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine (PubChem CID 65343096) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
PubChem CID65343096
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
SMILESCN(C)CCCNc1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyHUEWPFCJEZXWGK-UHFFFAOYSA-N
XLogP2.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
4-bromo-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515448
N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine (CID 65343096) is 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine is CN(C)CCCNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The InChIKey is HUEWPFCJEZXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3.
What are the key properties of 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine?
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine is sourced from PubChem (CID 65343096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).