1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine

C13H14ClNOS — CID 170865114

IUPAC1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNOS/c1-9(15)8-11-4-7-13(16-11)17-12-5-2-10(14)3-6-12/h2-7,9H,8,15H2,1H3
InChIKeyMEJXAILADJPJCA-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.97
Rot. Bonds4

About 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine

1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine (PubChem CID 170865114) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine
PubChem CID170865114
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNOS/c1-9(15)8-11-4-7-13(16-11)17-12-5-2-10(14)3-6-12/h2-7,9H,8,15H2,1H3
InChIKeyMEJXAILADJPJCA-UHFFFAOYSA-N
XLogP3.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
1-(4-chlorophenyl)propan-2-amine
CID 3127
5-(4-chlorophenyl)sulfanylfuran-2-carbaldehyde
CID 3366892
(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 46998192
1-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]propan-2-amine
CID 114865963
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 46984645
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
CID 63085980
1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]propan-2-amine
CID 63085115
3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69139529
5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 12995330

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine (CID 170865114) is 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine is CC(N)Cc1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine?
The InChIKey is MEJXAILADJPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9(15)8-11-4-7-13(16-11)17-12-5-2-10(14)3-6-12/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine?
1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine has a molecular weight of 267.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine is sourced from PubChem (CID 170865114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).