N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine

C17H19NOS — CID 43226121

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1oc2ccccc2c1CNC(C)c1cccs1
InChIInChI=1S/C17H19NOS/c1-3-15-14(13-7-4-5-8-16(13)19-15)11-18-12(2)17-9-6-10-20-17/h4-10,12,18H,3,11H2,1-2H3
InChIKeyZUPLZZSHOXVJGG-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43226121) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43226121
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1oc2ccccc2c1CNC(C)c1cccs1
InChIInChI=1S/C17H19NOS/c1-3-15-14(13-7-4-5-8-16(13)19-15)11-18-12(2)17-9-6-10-20-17/h4-10,12,18H,3,11H2,1-2H3
InChIKeyZUPLZZSHOXVJGG-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine (CID 43226121) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine is CCc1oc2ccccc2c1CNC(C)c1cccs1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZUPLZZSHOXVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-15-14(13-7-4-5-8-16(13)19-15)11-18-12(2)17-9-6-10-20-17/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43226121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).