1-(2,5-dibromophenyl)propan-2-amine

C9H11Br2N — CID 84739331

IUPAC1-(2,5-dibromophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2N/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKeyVUONVZBZJUAMBR-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.10
Rot. Bonds2

About 1-(2,5-dibromophenyl)propan-2-amine

1-(2,5-dibromophenyl)propan-2-amine (PubChem CID 84739331) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)propan-2-amine
PubChem CID84739331
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC Name1-(2,5-dibromophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2N/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKeyVUONVZBZJUAMBR-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dibromophenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83925856
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
1-(5-bromo-2-prop-2-ynoxyphenyl)propan-2-amine
CID 60907451
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
1-(4-bromo-2-tert-butylsulfanylphenyl)propan-2-amine
CID 63835990
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)propan-2-amine?
The IUPAC name of 1-(2,5-dibromophenyl)propan-2-amine (CID 84739331) is 1-(2,5-dibromophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)propan-2-amine is CC(N)Cc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)propan-2-amine?
The InChIKey is VUONVZBZJUAMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)propan-2-amine?
1-(2,5-dibromophenyl)propan-2-amine has a molecular weight of 293.00 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)propan-2-amine is sourced from PubChem (CID 84739331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).