1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine

C14H16ClNOS — CID 80529156

IUPAC1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1sccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-16-13(14-12(15)6-7-18-14)9-10-4-3-5-11(8-10)17-2/h3-8,13,16H,9H2,1-2H3
InChIKeyREJRSTASVHFAOM-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 80529156) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID80529156
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1sccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-16-13(14-12(15)6-7-18-14)9-10-4-3-5-11(8-10)17-2/h3-8,13,16H,9H2,1-2H3
InChIKeyREJRSTASVHFAOM-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
3-chloro-2-[1-chloro-2-(3-methoxyphenyl)ethyl]thiophene
CID 80530538
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 80529156) is 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is REJRSTASVHFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-16-13(14-12(15)6-7-18-14)9-10-4-3-5-11(8-10)17-2/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 80529156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).