4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine

C12H19BrN2 — CID 65341551

IUPAC4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2/c1-3-7-15(8-4-2)12-9-10(13)5-6-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyQTPJXHOSBUGFPU-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.66
Rot. Bonds5

About 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine

4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine (PubChem CID 65341551) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
PubChem CID65341551
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2/c1-3-7-15(8-4-2)12-9-10(13)5-6-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyQTPJXHOSBUGFPU-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine (CID 65341551) is 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine is CCCN(CCC)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine?
The InChIKey is QTPJXHOSBUGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-7-15(8-4-2)12-9-10(13)5-6-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine?
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine is sourced from PubChem (CID 65341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).