1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine

C16H20ClNO2S — CID 43438932

IUPAC1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C16H20ClNO2S/c1-11(15-6-7-16(17)21-15)18-9-8-12-4-5-13(19-2)14(10-12)20-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyOHDKIBRRNQAXAE-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.31
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine (PubChem CID 43438932) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
PubChem CID43438932
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C16H20ClNO2S/c1-11(15-6-7-16(17)21-15)18-9-8-12-4-5-13(19-2)14(10-12)20-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyOHDKIBRRNQAXAE-UHFFFAOYSA-N
XLogP4.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine 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

4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43432626
1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 112831587
1-(5-chlorothiophen-2-yl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43432665
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613
1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 69019591
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-[3-(3,4-dimethoxyphenyl)propyl]-3-ethylguanidine
CID 111702190

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine (CID 43438932) is 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2ccc(Cl)s2)cc1OC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The InChIKey is OHDKIBRRNQAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-11(15-6-7-16(17)21-15)18-9-8-12-4-5-13(19-2)14(10-12)20-3/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine has a molecular weight of 325.86 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 43438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).