N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

C18H25NOS — CID 107558452

IUPACN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(OCc2ccc(CNCC(C)C)s2)cc1
InChIInChI=1S/C18H25NOS/c1-4-15-5-7-16(8-6-15)20-13-18-10-9-17(21-18)12-19-11-14(2)3/h5-10,14,19H,4,11-13H2,1-3H3
InChIKeySGIRYSUJATZEGH-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.64
Rot. Bonds8

About N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107558452) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107558452
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(OCc2ccc(CNCC(C)C)s2)cc1
InChIInChI=1S/C18H25NOS/c1-4-15-5-7-16(8-6-15)20-13-18-10-9-17(21-18)12-19-11-14(2)3/h5-10,14,19H,4,11-13H2,1-3H3
InChIKeySGIRYSUJATZEGH-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-[(3,5-difluorophenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558865
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-[(2-bromo-4-methylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558674
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107558452) is N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is CCc1ccc(OCc2ccc(CNCC(C)C)s2)cc1.
What is the InChIKey of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SGIRYSUJATZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-15-5-7-16(8-6-15)20-13-18-10-9-17(21-18)12-19-11-14(2)3/h5-10,14,19H,4,11-13H2,1-3H3.
What are the key properties of N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.64, 8 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]-2-methylpropan-1-amine is sourced from PubChem (CID 107558452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).