1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C17H21NOS — CID 61473512

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C17H21NOS/c1-11-4-7-17(20-11)13(3)18-12(2)14-5-6-16-15(10-14)8-9-19-16/h4-7,10,12-13,18H,8-9H2,1-3H3
InChIKeyRPQDFWKGSDFHPQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.40
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 61473512) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID61473512
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C17H21NOS/c1-11-4-7-17(20-11)13(3)18-12(2)14-5-6-16-15(10-14)8-9-19-16/h4-7,10,12-13,18H,8-9H2,1-3H3
InChIKeyRPQDFWKGSDFHPQ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721971
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 81379156
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 43778171

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 61473512) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2ccc3c(c2)CCO3)s1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is RPQDFWKGSDFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-11-4-7-17(20-11)13(3)18-12(2)14-5-6-16-15(10-14)8-9-19-16/h4-7,10,12-13,18H,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61473512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).