1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine

C13H14ClNOS — CID 80530112

IUPAC1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1sccc1Cl
InChIInChI=1S/C13H14ClNOS/c1-16-12-5-3-2-4-9(12)8-11(15)13-10(14)6-7-17-13/h2-7,11H,8,15H2,1H3
InChIKeyRKTMOZAGFFTBQH-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 80530112) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID80530112
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1sccc1Cl
InChIInChI=1S/C13H14ClNOS/c1-16-12-5-3-2-4-9(12)8-11(15)13-10(14)6-7-17-13/h2-7,11H,8,15H2,1H3
InChIKeyRKTMOZAGFFTBQH-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 102622497
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
CID 80530505
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (CID 80530112) is 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is RKTMOZAGFFTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-16-12-5-3-2-4-9(12)8-11(15)13-10(14)6-7-17-13/h2-7,11H,8,15H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 267.78 g/mol, XLogP of 3.65, 4 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-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 80530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).