1-(5-chlorofuran-2-yl)propane-1,2-diamine

C7H11ClN2O — CID 131059514

IUPAC1-(5-chlorofuran-2-yl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(Cl)o1
InChIInChI=1S/C7H11ClN2O/c1-4(9)7(10)5-2-3-6(8)11-5/h2-4,7H,9-10H2,1H3
InChIKeyJSWXZXHMEAUADD-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.28
Rot. Bonds2

About 1-(5-chlorofuran-2-yl)propane-1,2-diamine

1-(5-chlorofuran-2-yl)propane-1,2-diamine (PubChem CID 131059514) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)propane-1,2-diamine
PubChem CID131059514
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-(5-chlorofuran-2-yl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(Cl)o1
InChIInChI=1S/C7H11ClN2O/c1-4(9)7(10)5-2-3-6(8)11-5/h2-4,7H,9-10H2,1H3
InChIKeyJSWXZXHMEAUADD-UHFFFAOYSA-N
XLogP1.28
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
CID 130151724
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(5-chlorofuran-2-yl)-3-methylbut-2-en-1-amine
CID 106692484
(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313296
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
CID 130062270
2-chloro-5-(dimethoxymethyl)furan
CID 119084288
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
1-(5-chlorofuran-2-yl)propylhydrazine
CID 106694131

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)propane-1,2-diamine (CID 131059514) is 1-(5-chlorofuran-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)propane-1,2-diamine is CC(N)C(N)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)propane-1,2-diamine?
The InChIKey is JSWXZXHMEAUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-4(9)7(10)5-2-3-6(8)11-5/h2-4,7H,9-10H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)propane-1,2-diamine?
1-(5-chlorofuran-2-yl)propane-1,2-diamine has a molecular weight of 174.63 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)propane-1,2-diamine is sourced from PubChem (CID 131059514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).