1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine

C18H21NOS — CID 65474544

IUPAC1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc3sccc3c2)o1
InChIInChI=1S/C18H21NOS/c1-3-9-19-13(2)11-16-5-6-17(20-16)14-4-7-18-15(12-14)8-10-21-18/h4-8,10,12-13,19H,3,9,11H2,1-2H3
InChIKeyYQXBEZVQXHBXRM-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.09
Rot. Bonds6

About 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 65474544) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID65474544
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc3sccc3c2)o1
InChIInChI=1S/C18H21NOS/c1-3-9-19-13(2)11-16-5-6-17(20-16)14-4-7-18-15(12-14)8-10-21-18/h4-8,10,12-13,19H,3,9,11H2,1-2H3
InChIKeyYQXBEZVQXHBXRM-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
CID 107586256
1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
CID 65474156
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine (CID 65474544) is 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2ccc3sccc3c2)o1.
What is the InChIKey of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is YQXBEZVQXHBXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-9-19-13(2)11-16-5-6-17(20-16)14-4-7-18-15(12-14)8-10-21-18/h4-8,10,12-13,19H,3,9,11H2,1-2H3.
What are the key properties of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 65474544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).