2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine

C14H16ClNS — CID 55095022

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1cccc(C)c1
InChIInChI=1S/C14H16ClNS/c1-10-4-3-5-11(8-10)13(16-2)9-12-6-7-14(15)17-12/h3-8,13,16H,9H2,1-2H3
InChIKeyKCXUZZCXHXKTPO-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.21
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine

2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 55095022) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID55095022
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1cccc(C)c1
InChIInChI=1S/C14H16ClNS/c1-10-4-3-5-11(8-10)13(16-2)9-12-6-7-14(15)17-12/h3-8,13,16H,9H2,1-2H3
InChIKeyKCXUZZCXHXKTPO-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115841386
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
[2-(5-chlorothiophen-2-yl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105295870
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 114886081
[2-(5-chlorothiophen-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105295886
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine (CID 55095022) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine is CNC(Cc1ccc(Cl)s1)c1cccc(C)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is KCXUZZCXHXKTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-4-3-5-11(8-10)13(16-2)9-12-6-7-14(15)17-12/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55095022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).