N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C17H20ClNOS — CID 106041212

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20ClNOS/c1-2-15(19-9-7-14-4-6-17(18)21-14)12-3-5-16-13(11-12)8-10-20-16/h3-6,11,15,19H,2,7-10H2,1H3
InChIKeyIWEITQNUFDAHSV-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 106041212) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID106041212
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20ClNOS/c1-2-15(19-9-7-14-4-6-17(18)21-14)12-3-5-16-13(11-12)8-10-20-16/h3-6,11,15,19H,2,7-10H2,1H3
InChIKeyIWEITQNUFDAHSV-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
CID 103786894
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 106041212) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is CCC(NCCc1ccc(Cl)s1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is IWEITQNUFDAHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-15(19-9-7-14-4-6-17(18)21-14)12-3-5-16-13(11-12)8-10-20-16/h3-6,11,15,19H,2,7-10H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 321.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 106041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).