1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine

C11H12ClNOS — CID 106692043

IUPAC1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClNOS/c12-11-4-3-10(14-11)9(13)2-1-8-5-6-15-7-8/h3-7,9H,1-2,13H2
InChIKeyNLCBFNOAOGMILZ-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.63
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine

1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 106692043) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID106692043
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClNOS/c12-11-4-3-10(14-11)9(13)2-1-8-5-6-15-7-8/h3-7,9H,1-2,13H2
InChIKeyNLCBFNOAOGMILZ-UHFFFAOYSA-N
XLogP3.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chlorofuran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106694313
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
3-[4-chloro-3-(chloromethyl)butyl]thiophene
CID 79448287
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
1-(5-methylpyrazin-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147912
1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
CID 105147757

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 106692043) is 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NLCBFNOAOGMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c12-11-4-3-10(14-11)9(13)2-1-8-5-6-15-7-8/h3-7,9H,1-2,13H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine?
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 106692043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).