(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride

C10H15BrClFN2 — CID 171223503

IUPAC(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H14BrFN2.ClH/c11-8-4-7(5-9(12)6-8)10(14)2-1-3-13;/h4-6,10H,1-3,13-14H2;1H/t10-;/m0./s1
InChIKeyBACQGGLRVGHHIX-PPHPATTJSA-N
MW297.60 g/mol
LogP2.75
Rot. Bonds4

About (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride

(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171223503) has the molecular formula C10H15BrClFN2 and a molecular weight of 297.60 g/mol. Its IUPAC name is (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
PubChem CID171223503
Molecular FormulaC10H15BrClFN2
Molecular Weight297.60 g/mol
Exact Mass296.01
IUPAC Name(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H14BrFN2.ClH/c11-8-4-7(5-9(12)6-8)10(14)2-1-3-13;/h4-6,10H,1-3,13-14H2;1H/t10-;/m0./s1
InChIKeyBACQGGLRVGHHIX-PPHPATTJSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.60
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;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

(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)propanenitrile;hydrochloride
CID 171260409
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204574
(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride (CID 171223503) is (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@H](N)c1cc(F)cc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is BACQGGLRVGHHIX-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14BrFN2.ClH/c11-8-4-7(5-9(12)6-8)10(14)2-1-3-13;/h4-6,10H,1-3,13-14H2;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride?
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 297.60 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171223503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).