(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine

C9H12BrFN2 — CID 130889083

IUPAC(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(F)c1Br
InChIInChI=1S/C9H12BrFN2/c10-9-6(8(13)4-5-12)2-1-3-7(9)11/h1-3,8H,4-5,12-13H2/t8-/m1/s1
InChIKeyUQUCHIXLFVMCRJ-MRVPVSSYSA-N
MW247.11 g/mol
LogP1.94
Rot. Bonds3

About (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine

(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine (PubChem CID 130889083) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
PubChem CID130889083
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(F)c1Br
InChIInChI=1S/C9H12BrFN2/c10-9-6(8(13)4-5-12)2-1-3-7(9)11/h1-3,8H,4-5,12-13H2/t8-/m1/s1
InChIKeyUQUCHIXLFVMCRJ-MRVPVSSYSA-N
XLogP1.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
1-(2-bromo-3-fluorophenyl)nonan-1-amine
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(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
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1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
1-(2-bromo-3-fluorophenyl)but-3-yn-1-amine
CID 114977875
1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
CID 105028423
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine (CID 130889083) is (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine is NCC[C@@H](N)c1cccc(F)c1Br.
What is the InChIKey of (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine?
The InChIKey is UQUCHIXLFVMCRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BrFN2/c10-9-6(8(13)4-5-12)2-1-3-7(9)11/h1-3,8H,4-5,12-13H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine?
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine has a molecular weight of 247.11 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 130889083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).