1-(2,6-dibromophenyl)propane-1,2-diamine

C9H12Br2N2 — CID 20546210

IUPAC1-(2,6-dibromophenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1c(Br)cccc1Br
InChIInChI=1S/C9H12Br2N2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9H,12-13H2,1H3
InChIKeyRXTXGOLHQSQKLF-UHFFFAOYSA-N
MW308.02 g/mol
LogP2.56
Rot. Bonds2

About 1-(2,6-dibromophenyl)propane-1,2-diamine

1-(2,6-dibromophenyl)propane-1,2-diamine (PubChem CID 20546210) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)propane-1,2-diamine
PubChem CID20546210
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name1-(2,6-dibromophenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1c(Br)cccc1Br
InChIInChI=1S/C9H12Br2N2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9H,12-13H2,1H3
InChIKeyRXTXGOLHQSQKLF-UHFFFAOYSA-N
XLogP2.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
1-(2,6-dibromophenyl)ethanol
CID 117104086
2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
CID 117110973
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
1-(3-bromo-2-methoxyphenyl)ethanamine
CID 82619023
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)propane-1,2-diamine?
The IUPAC name of 1-(2,6-dibromophenyl)propane-1,2-diamine (CID 20546210) is 1-(2,6-dibromophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dibromophenyl)propane-1,2-diamine?
The canonical SMILES for 1-(2,6-dibromophenyl)propane-1,2-diamine is CC(N)C(N)c1c(Br)cccc1Br.
What is the InChIKey of 1-(2,6-dibromophenyl)propane-1,2-diamine?
The InChIKey is RXTXGOLHQSQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9H,12-13H2,1H3.
What are the key properties of 1-(2,6-dibromophenyl)propane-1,2-diamine?
1-(2,6-dibromophenyl)propane-1,2-diamine has a molecular weight of 308.02 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)propane-1,2-diamine is sourced from PubChem (CID 20546210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).