N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine

C14H17NO2S — CID 66351681

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1ccc(C(C)Nc2ccsc2)c(OC)c1
InChIInChI=1S/C14H17NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-10,15H,1-3H3
InChIKeyWYXDUHFIDCANIR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine (PubChem CID 66351681) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
PubChem CID66351681
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1ccc(C(C)Nc2ccsc2)c(OC)c1
InChIInChI=1S/C14H17NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-10,15H,1-3H3
InChIKeyWYXDUHFIDCANIR-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351198
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903700
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine (CID 66351681) is N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine is COc1ccc(C(C)Nc2ccsc2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine?
The InChIKey is WYXDUHFIDCANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-10,15H,1-3H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine has a molecular weight of 263.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine is sourced from PubChem (CID 66351681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).