N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine

C16H20ClNOS — CID 106041315

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNOS/c1-11-4-6-15(19-3)14(10-11)12(2)18-9-8-13-5-7-16(17)20-13/h4-7,10,12,18H,8-9H2,1-3H3
InChIKeyUOALBUNGRDJXSN-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.61
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 106041315) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID106041315
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNOS/c1-11-4-6-15(19-3)14(10-11)12(2)18-9-8-13-5-7-16(17)20-13/h4-7,10,12,18H,8-9H2,1-3H3
InChIKeyUOALBUNGRDJXSN-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)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

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106042121
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine (CID 106041315) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is UOALBUNGRDJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-11-4-6-15(19-3)14(10-11)12(2)18-9-8-13-5-7-16(17)20-13/h4-7,10,12,18H,8-9H2,1-3H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 309.86 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 106041315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).