N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine

C16H21NOS — CID 107558453

IUPACN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(CC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-13-5-7-14(8-6-13)18-12-16-10-9-15(19-16)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyLISUAJDWNRLGGS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.00
Rot. Bonds7

About N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107558453) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107558453
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(CC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-13-5-7-14(8-6-13)18-12-16-10-9-15(19-16)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyLISUAJDWNRLGGS-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558402

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine (CID 107558453) is N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2ccc(CC)cc2)s1.
What is the InChIKey of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is LISUAJDWNRLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-13-5-7-14(8-6-13)18-12-16-10-9-15(19-16)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).