(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine

C7H11BrN2O — CID 130817286

IUPAC(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
SMILESNCC[C@H](N)c1ccc(Br)o1
InChIInChI=1S/C7H11BrN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3-4,9-10H2/t5-/m0/s1
InChIKeyYQWKRNVSDUZHCS-YFKPBYRVSA-N
MW219.08 g/mol
LogP1.39
Rot. Bonds3

About (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine

(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine (PubChem CID 130817286) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
PubChem CID130817286
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
SMILESNCC[C@H](N)c1ccc(Br)o1
InChIInChI=1S/C7H11BrN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3-4,9-10H2/t5-/m0/s1
InChIKeyYQWKRNVSDUZHCS-YFKPBYRVSA-N
XLogP1.39
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-bromofuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171219569
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
1-(5-bromofuran-2-yl)-2-fluoroethanamine
CID 83820366
(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171219567
2-amino-2-(5-bromofuran-2-yl)ethanol
CID 82659275
(1S)-1-(5-bromofuran-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171219563
3-amino-3-(5-bromofuran-2-yl)propanoic acid
CID 24706376
(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
CID 29060163
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
(1R)-1-(5-bromofuran-2-yl)-2,2-difluoroethanamine
CID 130673890

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine (CID 130817286) is (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine is NCC[C@H](N)c1ccc(Br)o1.
What is the InChIKey of (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine?
The InChIKey is YQWKRNVSDUZHCS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11BrN2O/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2,5H,3-4,9-10H2/t5-/m0/s1.
What are the key properties of (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine?
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine has a molecular weight of 219.08 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 130817286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).