1-(2,5-dibromophenyl)prop-2-yn-1-amine

C9H7Br2N — CID 104995956

IUPAC1-(2,5-dibromophenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Br)ccc1Br
InChIInChI=1S/C9H7Br2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2
InChIKeyXWQCUTLOLMEAKO-UHFFFAOYSA-N
MW288.97 g/mol
LogP2.84
Rot. Bonds1

About 1-(2,5-dibromophenyl)prop-2-yn-1-amine

1-(2,5-dibromophenyl)prop-2-yn-1-amine (PubChem CID 104995956) has the molecular formula C9H7Br2N and a molecular weight of 288.97 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)prop-2-yn-1-amine
PubChem CID104995956
Molecular FormulaC9H7Br2N
Molecular Weight288.97 g/mol
Exact Mass286.89
IUPAC Name1-(2,5-dibromophenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Br)ccc1Br
InChIInChI=1S/C9H7Br2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2
InChIKeyXWQCUTLOLMEAKO-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-difluorophenyl)prop-2-yn-1-amine
CID 130543156
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
1-(2,5-dibromophenyl)-2-propylpentan-1-amine
CID 82984674
(2S,3S)-3-amino-3-(2,5-dibromophenyl)-1,1,1-trifluoropropan-2-ol
CID 131347022
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
1-(2,4-dibromophenyl)pent-4-yn-1-amine
CID 107945868

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)prop-2-yn-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)prop-2-yn-1-amine (CID 104995956) is 1-(2,5-dibromophenyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)prop-2-yn-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)prop-2-yn-1-amine is C#CC(N)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)prop-2-yn-1-amine?
The InChIKey is XWQCUTLOLMEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2.
What are the key properties of 1-(2,5-dibromophenyl)prop-2-yn-1-amine?
1-(2,5-dibromophenyl)prop-2-yn-1-amine has a molecular weight of 288.97 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).