N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine

C14H17NO2S — CID 66352513

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCCOc1cc(CNc2ccsc2)ccc1OC
InChIInChI=1S/C14H17NO2S/c1-3-17-14-8-11(4-5-13(14)16-2)9-15-12-6-7-18-10-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyASPYCLNNKYFLDU-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.77
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine (PubChem CID 66352513) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
PubChem CID66352513
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCCOc1cc(CNc2ccsc2)ccc1OC
InChIInChI=1S/C14H17NO2S/c1-3-17-14-8-11(4-5-13(14)16-2)9-15-12-6-7-18-10-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyASPYCLNNKYFLDU-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine (CID 66352513) is N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine is CCOc1cc(CNc2ccsc2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine?
The InChIKey is ASPYCLNNKYFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-17-14-8-11(4-5-13(14)16-2)9-15-12-6-7-18-10-12/h4-8,10,15H,3,9H2,1-2H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine has a molecular weight of 263.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66352513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).