N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine

C15H19NO3S — CID 66351198

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1cc(C(C)Nc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h5-10,16H,1-4H3
InChIKeySXOPVDDAGYODFB-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine

N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine (PubChem CID 66351198) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
PubChem CID66351198
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
SMILESCOc1cc(C(C)Nc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h5-10,16H,1-4H3
InChIKeySXOPVDDAGYODFB-UHFFFAOYSA-N
XLogP3.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351681
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
N-(1-naphthalen-2-ylethyl)thiophen-3-amine
CID 66351255
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
N-[1-(1,3-benzodioxol-5-yl)ethyl]thiophen-3-amine
CID 66350380
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine (CID 66351198) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine is COc1cc(C(C)Nc2ccsc2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine?
The InChIKey is SXOPVDDAGYODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h5-10,16H,1-4H3.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine has a molecular weight of 293.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine is sourced from PubChem (CID 66351198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).