1-(3,5-dibromophenyl)propan-1-amine

C9H11Br2N — CID 91121714

IUPAC1-(3,5-dibromophenyl)propan-1-amine
SMILESCCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3
InChIKeyGDUCQOXCBNLCLR-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.62
Rot. Bonds2

About 1-(3,5-dibromophenyl)propan-1-amine

1-(3,5-dibromophenyl)propan-1-amine (PubChem CID 91121714) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)propan-1-amine
PubChem CID91121714
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC Name1-(3,5-dibromophenyl)propan-1-amine
SMILESCCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3
InChIKeyGDUCQOXCBNLCLR-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dibromophenyl)propan-1-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

(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)propan-1-amine?
The IUPAC name of 1-(3,5-dibromophenyl)propan-1-amine (CID 91121714) is 1-(3,5-dibromophenyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dibromophenyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dibromophenyl)propan-1-amine is CCC(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)propan-1-amine?
The InChIKey is GDUCQOXCBNLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)propan-1-amine?
1-(3,5-dibromophenyl)propan-1-amine has a molecular weight of 293.00 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)propan-1-amine is sourced from PubChem (CID 91121714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).