(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride

C8H13BrClNO — CID 171200029

IUPAC(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(Br)o1.Cl
InChIInChI=1S/C8H12BrNO.ClH/c1-2-3-6(10)7-4-5-8(9)11-7;/h4-6H,2-3,10H2,1H3;1H/t6-;/m1./s1
InChIKeyUOQYBMYJLULSKY-FYZOBXCZSA-N
MW254.55 g/mol
LogP3.26
Rot. Bonds3

About (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride

(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride (PubChem CID 171200029) has the molecular formula C8H13BrClNO and a molecular weight of 254.55 g/mol. Its IUPAC name is (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
PubChem CID171200029
Molecular FormulaC8H13BrClNO
Molecular Weight254.55 g/mol
Exact Mass252.99
IUPAC Name(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(Br)o1.Cl
InChIInChI=1S/C8H12BrNO.ClH/c1-2-3-6(10)7-4-5-8(9)11-7;/h4-6H,2-3,10H2,1H3;1H/t6-;/m1./s1
InChIKeyUOQYBMYJLULSKY-FYZOBXCZSA-N
XLogP3.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride 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-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
CID 130817286
(1S)-1-(5-bromofuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171219569
(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171219567
(1S)-1-(5-bromofuran-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171219563
1-(5-bromofuran-2-yl)-2-fluoroethanamine
CID 83820366
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
2-amino-2-(5-bromofuran-2-yl)ethanol
CID 82659275
1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842605
5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
CID 88903392
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride (CID 171200029) is (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(Br)o1.Cl.
What is the InChIKey of (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride?
The InChIKey is UOQYBMYJLULSKY-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H12BrNO.ClH/c1-2-3-6(10)7-4-5-8(9)11-7;/h4-6H,2-3,10H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride?
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride has a molecular weight of 254.55 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171200029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).