1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine

C13H14ClNOS — CID 62791195

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H14ClNOS/c1-15-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)16-2/h3-8,13,15H,1-2H3
InChIKeyGMCVHCBLGOIEBJ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.72
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 62791195) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID62791195
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H14ClNOS/c1-15-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)16-2/h3-8,13,15H,1-2H3
InChIKeyGMCVHCBLGOIEBJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
[(2,5-dimethoxyphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105196872
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 62791195) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is GMCVHCBLGOIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-15-13(9-5-6-17-8-9)11-7-10(14)3-4-12(11)16-2/h3-8,13,15H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 267.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 62791195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).