N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine

C16H16ClNOS — CID 106684309

IUPACN-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1csc2ccccc12
InChIInChI=1S/C16H16ClNOS/c1-2-9-18-16(13-7-8-15(17)19-13)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,16,18H,2,9H2,1H3
InChIKeyMLELARBLWUSKRN-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.24
Rot. Bonds5

About N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine (PubChem CID 106684309) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
PubChem CID106684309
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1csc2ccccc12
InChIInChI=1S/C16H16ClNOS/c1-2-9-18-16(13-7-8-15(17)19-13)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,16,18H,2,9H2,1H3
InChIKeyMLELARBLWUSKRN-UHFFFAOYSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[1-benzothiophen-3-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 80533744
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine (CID 106684309) is N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The InChIKey is MLELARBLWUSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-2-9-18-16(13-7-8-15(17)19-13)12-10-20-14-6-4-3-5-11(12)14/h3-8,10,16,18H,2,9H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine has a molecular weight of 305.83 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106684309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).