2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine

C15H18ClNO2S — CID 21156725

IUPAC2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCCOc1c(Cl)cc(CC(N)c2cccs2)cc1OC
InChIInChI=1S/C15H18ClNO2S/c1-3-19-15-11(16)7-10(9-13(15)18-2)8-12(17)14-5-4-6-20-14/h4-7,9,12H,3,8,17H2,1-2H3
InChIKeyIANNKHQHTSHFKX-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.05
Rot. Bonds6

About 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine

2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine (PubChem CID 21156725) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
PubChem CID21156725
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCCOc1c(Cl)cc(CC(N)c2cccs2)cc1OC
InChIInChI=1S/C15H18ClNO2S/c1-3-19-15-11(16)7-10(9-13(15)18-2)8-12(17)14-5-4-6-20-14/h4-7,9,12H,3,8,17H2,1-2H3
InChIKeyIANNKHQHTSHFKX-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine 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

2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157645
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681743
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
CID 21157641
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717186
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine (CID 21156725) is 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine is CCOc1c(Cl)cc(CC(N)c2cccs2)cc1OC.
What is the InChIKey of 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is IANNKHQHTSHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-3-19-15-11(16)7-10(9-13(15)18-2)8-12(17)14-5-4-6-20-14/h4-7,9,12H,3,8,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine?
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 311.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 21156725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).